Vitas-M small molecule compound

4-[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]butanoic acid

Catalog ID
STK595273
SMILES OC(=O)CCCN1C(=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 C21H20N2O5S3 MW 476.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N2O5S3/c24-11(25)4-1-5-23-19(26)13-8-7-9(14(13)20(23)27)16-12(8)15(10-3-2-6-29-10)17-18(30-16)22-21(28)31-17/h2-3,6,8-9,12-16H,1,4-5,7H2,(H,22,28)(H,24,25)
InChIKey
XEIVENHSMBTYFE-UHFFFAOYSA-N
Synonyms
1212251-66-5
4((4aR5R5aR8aR9S)268trioxo10(thiophen2yl)234a55a68a99a10decahydro59methanothiazolo(5456)thiopyrano(23f)isoindol7(8H)yl)butanoicacid
4(268trioxo10(thiophen2yl)34a55a688a99a10decahydro59methano(13)thiazolo(5456)thiopyrano(23f)isoindol7(2H)yl)butanoicacid
C1C2C3C(C1C4C2C(=O)N(C4=O)CCCC(=O)O)SC5=C(C3C6=CC=CS6)SC(=O)N5
OC(=O)CCCN1C(=O)C2C(C1=O)C1CC2C2C1Sc1c(C2c2cccs2)sc(=O)(nH)1
Registry IDs
MFCD05838688
ZINC000239433068
ZINC000239433071

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Available files

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