Vitas-M small molecule compound
2-{[5-(benzylsulfanyl)-10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}-N-(3-methylphenyl)acetamide
Catalog ID
STK558642
SMILES O=C(Nc1cccc(c1)C)CSc1nnc2n1c(SCc1ccccc1)nc1c2c2CC(C)(C)OCc2s1
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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 C28H27N5O2S3 MW 561.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N5O2S3/c1-17-8-7-11-19(12-17)29-22(34)16-37-27-32-31-24-23-20-13-28(2,3)35-14-21(20)38-25(23)30-26(33(24)27)36-15-18-9-5-4-6-10-18/h4-12H,13-16H2,1-3H3,(H,29,34)InChIKey
WLYCLBBKJFRINS-UHFFFAOYSA-NSynonyms
2((5(benzylsulfanyl)1010dimethyl1011dihydro8Hpyrano(4345)thieno(32e)(124)triazolo(43c)pyrimidin3yl)sulfanyl)N(3methylphenyl)acetamide
2((5(benzylthio)1010dimethyl1011dihydro8Hpyrano(4345)thieno(32e)(124)triazolo(43c)pyrimidin3yl)thio)N(mtolyl)acetamide
CC1=CC(=CC=C1)NC(=O)CSC2=NN=C3N2C(=NC4=C3C5=C(S4)COC(C5)(C)C)SCC6=CC=CC=C6
InChI=1SC28H27N5O2S3c117871119(1217)2922(34)16372732312423201328(23)351421(20)3825(23)3026(33(24)27)36151895461018h412H1316H213H3(H2934)
MFCD04033608
ZINC000001884057
ZINC01884057
ZINC1884057
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