Vitas-M small molecule compound

2-(benzylsulfanyl)-6,6-dimethyl-3-(prop-2-en-1-yl)-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one

Catalog ID
STK699838
SMILES C=CCn1c(SCc2ccccc2)nc2c(c1=O)c1CC(C)(C)SCc1s2

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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 C21H22N2OS3 MW 414.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2OS3/c1-4-10-23-19(24)17-15-11-21(2,3)26-13-16(15)27-18(17)22-20(23)25-12-14-8-6-5-7-9-14/h4-9H,1,10-13H2,2-3H3
InChIKey
CRAPWVQTDAVHBA-UHFFFAOYSA-N
Synonyms
489404-35-5
2(benzylsulfanyl)66dimethyl3(prop2en1yl)3568tetrahydro4Hthiopyrano(4345)thieno(23d)pyrimidin4one
2benzylsulfanyl66dimethyl3prop2enyl58dihydrothiopyrano(23)thieno(24b)pyrimidin4one
3allyl2(benzylthio)66dimethyl56dihydro3Hthiopyrano(4345)thieno(23d)pyrimidin4(8H)one
489404355
CC1(CC2=C(CS1)SC3=C2C(=O)N(C(=N3)SCC4=CC=CC=C4)CC=C)C
InChI=1SC21H22N2OS3c14102319(24)17151121(23)261316(15)2718(17)2220(23)2512148657914h49H11013H223H3
MFCD03296138
ZINC000001788637
ZINC01788637
ZINC1788637

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Available files

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