Vitas-M small molecule compound
2-{[5-(benzylsulfanyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamide
Catalog ID
STK720392
SMILES CCOc1ccc(cc1)NC(=O)CSc1nnc2n1c(SCc1ccccc1)nc1c2c2CCCCc2s1
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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/c1-2-35-20-14-12-19(13-15-20)29-23(34)17-37-28-32-31-25-24-21-10-6-7-11-22(21)38-26(24)30-27(33(25)28)36-16-18-8-4-3-5-9-18/h3-5,8-9,12-15H,2,6-7,10-11,16-17H2,1H3,(H,29,34)InChIKey
VZAIDPQHSQLPSL-UHFFFAOYSA-NSynonyms
2((5(benzylsulfanyl)891011tetrahydro(1)benzothieno(32e)(124)triazolo(43c)pyrimidin3yl)sulfanyl)N(4ethoxyphenyl)acetamide
2((5(benzylthio)891011tetrahydrobenzo(45)thieno(32e)(124)triazolo(43c)pyrimidin3yl)thio)N(4ethoxyphenyl)acetamide
CCOC1=CC=C(C=C1)NC(=O)CSC2=NN=C3N2C(=NC4=C3C5=C(S4)CCCC5)SCC6=CC=CC=C6
InChI=1SC28H27N5O2S3c123520141219(131520)2923(34)173728323125242110671122(21)3826(24)3027(33(25)28)3616188435918h35891215H26710111617H21H3(H2934)
MFCD04013119
ZINC000002604599
ZINC2604599
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