Vitas-M small molecule compound

4-(2,6,8-trioxo-10-phenyl-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
STK596937
SMILES OC(=O)CCCN1C(=O)C2C(C1=O)C1CC2C2C1Sc1c(C2c2ccccc2)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 C23H22N2O5S2 MW 470.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N2O5S2/c26-13(27)7-4-8-25-21(28)16-11-9-12(17(16)22(25)29)18-15(11)14(10-5-2-1-3-6-10)19-20(31-18)24-23(30)32-19/h1-3,5-6,11-12,14-18H,4,7-9H2,(H,24,30)(H,26,27)
InChIKey
RWVOQWRAWNRIMW-UHFFFAOYSA-N
Synonyms
1177971-14-0
1177971140
4((4aR5R5aR8aR9S)268trioxo10phenyl234a55a68a99a10decahydro59methanothiazolo(5456)thiopyrano(23f)isoindol7(8H)yl)butanoicacid
4(268trioxo10phenyl34a55a688a99a10decahydro59methano(13)thiazolo(5456)thiopyrano(23f)isoindol7(2H)yl)butanoicacid
C1C2C3C(C1C4C2C(=O)N(C4=O)CCCC(=O)O)SC5=C(C3C6=CC=CC=C6)SC(=O)N5
InChI=1SC23H22N2O5S2c2613(27)7482521(28)1611912(17(16)22(25)29)1815(11)14(105213610)1920(3118)2423(30)3219h135611121418H479H2(H2430)(H2627)
MFCD05838702
OC(=O)CCCN1C(=O)C2C(C1=O)C1CC2C2C1Sc1c(C2c2ccccc2)sc(=O)(nH)1
ZINC000247423498
ZINC000247423524

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Available files

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