Vitas-M small molecule compound

2-{[6,6-dimethyl-2-(methylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]sulfanyl}-1-(4-nitrophenyl)ethanone

Catalog ID
STK586979
SMILES CSc1nc(SCC(=O)c2ccc(cc2)[N+](=O)[O-])c2c(n1)sc1c2CC(OC1)(C)C

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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 C20H19N3O4S3 MW 461.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N3O4S3/c1-20(2)8-13-15(9-27-20)30-18-16(13)17(21-19(22-18)28-3)29-10-14(24)11-4-6-12(7-5-11)23(25)26/h4-7H,8-10H2,1-3H3
InChIKey
BBOMWEZHRRQKEL-UHFFFAOYSA-N
Synonyms
879460-84-1
2((66dimethyl2(methylsulfanyl)58dihydro6Hpyrano(4345)thieno(23d)pyrimidin4yl)sulfanyl)1(4nitrophenyl)ethanone
2((66dimethyl2(methylthio)68dihydro5Hpyrano(4345)thieno(23d)pyrimidin4yl)thio)1(4nitrophenyl)ethanone
2((66dimethyl2methylsulfanyl58dihydropyrano(23)thieno(24b)pyrimidin4yl)sulfanyl)1(4nitrophenyl)ethanone
879460841
CC1(CC2=C(CO1)SC3=C2C(=NC(=N3)SC)SCC(=O)C4=CC=C(C=C4)(N+)(=O)(O))C
CSc1nc(SCC(=O)c2ccc(cc2)(N+)(=O)(O))c2c(n1)sc1c2CC(OC1)(C)C
InChI=1SC20H19N3O4S3c120(2)81315(92720)301816(13)17(2119(2218)283)291014(24)114612(7511)23(25)26h47H810H213H3
MFCD03674381
ZINC000009317747
ZINC09317747
ZINC9317747

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Available files

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