Vitas-M small molecule compound
10-(5-chloro-2-methoxyphenyl)-8-(thiophen-2-ylcarbonyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Catalog ID
STL243282
SMILES COc1ccc(cc1N1C(=O)C2C(C1=O)C1N(C2C(=O)c2cccs2)C=Cc2c1cccc2)Cl
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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 C26H19ClN2O4S MW 490.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H19ClN2O4S/c1-33-18-9-8-15(27)13-17(18)29-25(31)20-21(26(29)32)23(24(30)19-7-4-12-34-19)28-11-10-14-5-2-3-6-16(14)22(20)28/h2-13,20-23H,1H3InChIKey
FWQJWVOETVRMQB-UHFFFAOYSA-NSynonyms
(8S8aR11aS)10(5chloro2methoxyphenyl)8(thiophene2carbonyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
10(5chloro2methoxyphenyl)8(thiophen2ylcarbonyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
COC1=C(C=C(C=C1)Cl)N2C(=O)C3C(C2=O)C(N4C3C5=CC=CC=C5C=C4)C(=O)C6=CC=CS6
COc1ccc(cc1N1C(=O)(C@@H)2(C@H)(C1=O)C1N((C@@H)2C(=O)c2cccs2)C=Cc2c1cccc2)Cl
InChI=1SC26H19ClN2O4Sc133189815(27)1317(18)2925(31)2021(26(29)32)23(24(30)1974123419)28111014523616(14)22(20)28h2132023H1H3
MFCD24859589
ZINC000018113997
ZINC000247873533
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