Vitas-M small molecule compound
3-[(2S,6'R)-7-chloro-2'-hydroxy-4,6-dimethoxy-6'-methyl-3,4'-dioxo-3H-spiro[1-benzofuran-2,1'-cyclohex[2]en]-3'-yl]-N-(2-{[(4-hydroxy-6,7-dimethoxyquinazolin-2-yl)methyl]sulfanyl}ethyl)-3-[4-(methylsulfanyl)phenyl]propanamide
Catalog ID
STL551895
SMILES CSc1ccc(cc1)C(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCCSCc1nc(O)c2c(n1)cc(c(c2)OC)OC
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C39H40ClN3O10S2 MW 810.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H40ClN3O10S2/c1-19-13-25(44)32(36(46)39(19)37(47)33-28(51-4)17-29(52-5)34(40)35(33)53-39)22(20-7-9-21(54-6)10-8-20)15-31(45)41-11-12-55-18-30-42-24-16-27(50-3)26(49-2)14-23(24)38(48)43-30/h7-10,14,16-17,19,22,46H,11-13,15,18H2,1-6H3,(H,41,45)(InChIKey
KPAQMNYQPSWPQI-VCBPXEEWSA-NSynonyms
135640224
3((2~(S)4~(R))7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)~(N)(2((67dimethoxy4oxo3~(H)quinazolin2yl)methylsulfanyl)ethyl)3(4methylsulfanylphenyl)propanamide
3((2S6R)7CHLORO2HYDROXY46DIMETHOXY6METHYL34DIOXO3HSPIRO(1BENZOFURAN21CYCLOHEX(2)EN)3YL)N(2(((4HYDROXY67DIMETHOXYQUINAZOLIN2YL)METHYL)SULFANYL)ETHYL)3(4(METHYLSU
3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)N(2(((4hydroxy67dimethoxyquinazolin2yl)methyl)sulfanyl)ethyl)3(4(methylsulfanyl)phenyl)propanamide
InChI=1SC39H40ClN3O10S2c1191325(44)32(36(46)39(19)37(47)3328(514)1729(525)34(40)35(33)5339)22(207921(546)10820)1531(45)41111255183042241627(503)26(492)1423(24)38(48)4330h710141617192246H11131518H216H3(H4145)(H424348)t1922?39+m1s1
LFANYL)PHENYL)PROPANAMIDE
ZINC001547139154
ZINC001547139157
Check stock
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