Vitas-M small molecule compound
3-[2,6,8-trioxo-10-(thiophen-2-yl)-3,4a,5,5a,6,8,8a,9,9a,10-decahydro-5,9-methano[1,3]thiazolo[5',4':5,6]thiopyrano[2,3-f]isoindol-7(2H)-yl]propanoic acid
Catalog ID
STK572921
SMILES OC(=O)CCN1C(=O)C2C(C1=O)C1CC2C2C1Sc1c(C2c2cccs2)sc(=O)[nH]1
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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 C20H18N2O5S3 MW 462.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N2O5S3/c23-10(24)3-4-22-18(25)12-7-6-8(13(12)19(22)26)15-11(7)14(9-2-1-5-28-9)16-17(29-15)21-20(27)30-16/h1-2,5,7-8,11-15H,3-4,6H2,(H,21,27)(H,23,24)InChIKey
YIMRWTWFPZWXIE-UHFFFAOYSA-NSynonyms
1177931-62-21177931622
3((4aR5R5aR8aR9S)268trioxo10(thiophen2yl)234a55a68a99a10decahydro59methanothiazolo(5456)thiopyrano(23f)isoindol7(8H)yl)propanoicacid
3(268trioxo10(thiophen2yl)34a55a688a99a10decahydro59methano(13)thiazolo(5456)thiopyrano(23f)isoindol7(2H)yl)propanoicacid
C1C2C3C(C1C4C2C(=O)N(C4=O)CCC(=O)O)SC5=C(C3C6=CC=CS6)SC(=O)N5
InChI=1SC20H18N2O5S3c2310(24)342218(25)12768(13(12)19(22)26)1511(7)14(9215289)1617(2915)2120(27)3016h125781115H346H2(H2127)(H2324)
MFCD05838689
OC(=O)CCN1C(=O)C2C(C1=O)C1CC2C2C1Sc1c(C2c2cccs2)sc(=O)(nH)1
ZINC000245318965
ZINC000245318968
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