Vitas-M small molecule compound
4-[(3a'S,6a'R)-7-chloro-3'-(1H-indol-3-ylmethyl)-2,4',6'-trioxo-1,2,2',3',3a',4',6',6a'-octahydro-5'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-5'-yl]phenyl acetate
Catalog ID
STL530194
SMILES CC(=O)Oc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)C1(NC2Cc2c[nH]c3c2cccc3)C(=O)Nc2c1cccc2Cl
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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 C30H23ClN4O5 MW 554.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H23ClN4O5/c1-15(36)40-18-11-9-17(10-12-18)35-27(37)24-23(13-16-14-32-22-8-3-2-5-19(16)22)34-30(25(24)28(35)38)20-6-4-7-21(31)26(20)33-29(30)39/h2-12,14,23-25,32,34H,13H2,1H3,(H,33,39)/t23?,24-,25+,30?/m1/s1InChIKey
COQOVWCOLFFINH-VSSSQIRHSA-NSynonyms
956823-70-4(4((3~(a)~(R)6~(a)~(S))7chloro1(1~(H)indol3ylmethyl)246trioxospiro(123~(a)6~(a)tetrahydropyrrolo(34c)pyrrole331~(H)indole)5yl)phenyl)acetate
16405642
4((3aS6aR)3((1Hindol3yl)methyl)7chloro246trioxo3a466atetrahydro2Hspiro(indoline31pyrrolo(34c)pyrrol)5(3H)yl)phenylacetate
4((3aS6aR)7chloro3(1Hindol3ylmethyl)246trioxo12233a466aoctahydro5Hspiro(indole31pyrrolo(34c)pyrrol)5yl)phenylacetate
956823704
CC(=O)Oc1ccc(cc1)N1C(=O)(C@H)2(C@@H)(C1=O)C1(NC2Cc2c(nH)c3c2cccc3)C(=O)Nc2c1cccc2Cl
InChI=1SC30H23ClN4O5c115(36)401811917(101218)3527(37)2423(1316143222832519(16)22)3430(25(24)28(35)38)2064721(31)26(20)3329(30)39h2121423253234H13H21H3(H3339)t23?2425+30?m1s1
MFCD07637105
ZINC000070705232
ZINC000070705240
Check stock
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Check stock on Vitas-MAvailable files
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