Vitas-M small molecule compound
(2S,6'R)-7-chloro-4,6-dimethoxy-9'-{3-methoxy-4-[(1-methyl-1H-imidazol-2-yl)methoxy]phenyl}-6'-methyl-1',5',6',9'-tetrahydro-3H,8'H-spiro[1-benzofuran-2,7'-[1,2,4]triazolo[5,1-b]quinazoline]-3,8'-dione
Catalog ID
STL551419
SMILES COc1cc(ccc1OCc1nccn1C)C1C2=C(C[C@H]([C@@]3(C2=O)Oc2c(C3=O)c(OC)cc(c2Cl)OC)C)N=c2n1[nH]cn2
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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 C31H29ClN6O7 MW 633.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H29ClN6O7/c1-15-10-17-23(28(39)31(15)29(40)24-20(42-4)12-21(43-5)25(32)27(24)45-31)26(38-30(36-17)34-14-35-38)16-6-7-18(19(11-16)41-3)44-13-22-33-8-9-37(22)2/h6-9,11-12,14-15,26H,10,13H2,1-5H3,(H,34,35,36)/t15-,26?,31+/m1/s1InChIKey
KOOKAMLEFKNUJK-VJDYQOTDSA-NSynonyms
(2~(S)6~(R))7chloro46dimethoxy9(3methoxy4((1methylimidazol2yl)methoxy)phenyl)6methylspiro(1benzofuran274569tetrahydro(124)triazolo(51b)quinazoline)38dione
(2S6R)7chloro46dimethoxy9(3methoxy4((1methyl1Himidazol2yl)methoxy)phenyl)6methyl1569tetrahydro3H8Hspiro(1benzofuran27(124)triazolo(51b)quinazoline)38dione
135639957
InChI=1SC31H29ClN6O7c115101723(28(39)31(15)29(40)2420(424)1221(435)25(32)27(24)4531)26(3830(3617)34143538)166718(19(1116)413)441322338937(22)2h691112141526H1013H215H3(H343536)t1526?31+m1s1
ZINC000824614057
ZINC000824614058
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