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-(4-methoxyphenyl)acetamide
Catalog ID
STK720339
SMILES COc1ccc(cc1)NC(=O)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 C28H27N5O3S3 MW 577.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N5O3S3/c1-28(2)13-20-21(14-36-28)39-25-23(20)24-31-32-27(33(24)26(30-25)37-15-17-7-5-4-6-8-17)38-16-22(34)29-18-9-11-19(35-3)12-10-18/h4-12H,13-16H2,1-3H3,(H,29,34)InChIKey
MAVXDDUEHHCKBI-UHFFFAOYSA-NSynonyms
2((5(benzylsulfanyl)1010dimethyl1011dihydro8Hpyrano(4345)thieno(32e)(124)triazolo(43c)pyrimidin3yl)sulfanyl)N(4methoxyphenyl)acetamide
2((5(benzylthio)1010dimethyl1011dihydro8Hpyrano(4345)thieno(32e)(124)triazolo(43c)pyrimidin3yl)thio)N(4methoxyphenyl)acetamide
CC1(CC2=C(CO1)SC3=C2C4=NN=C(N4C(=N3)SCC5=CC=CC=C5)SCC(=O)NC6=CC=C(C=C6)OC)C
InChI=1SC28H27N5O3S3c128(2)132021(143628)392523(20)24313227(33(24)26(3025)3715177546817)381622(34)291891119(353)121018h412H1316H213H3(H2934)
MFCD04016299
ZINC000002589968
ZINC2589968
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