Vitas-M small molecule compound
2-{[5-oxo-4-(2-phenylethyl)-4,5,6,7,8,9-hexahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}-N-(4-phenylbutan-2-yl)acetamide
Catalog ID
STK720515
SMILES CC(NC(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2CCc1ccccc1)CCCC3)CCc1ccccc1
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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 C31H33N5O2S2 MW 571.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H33N5O2S2/c1-21(16-17-22-10-4-2-5-11-22)32-26(37)20-39-31-34-33-30-35(19-18-23-12-6-3-7-13-23)28(38)27-24-14-8-9-15-25(24)40-29(27)36(30)31/h2-7,10-13,21H,8-9,14-20H2,1H3,(H,32,37)InChIKey
AMCBNGACGQWJSD-UHFFFAOYSA-NSynonyms
2((5oxo4(2phenylethyl)456789hexahydro(1)benzothieno(32e)(124)triazolo(43a)pyrimidin1yl)sulfanyl)N(4phenylbutan2yl)acetamide
2((5oxo4phenethyl456789hexahydrobenzo(45)thieno(32e)(124)triazolo(43a)pyrimidin1yl)thio)N(4phenylbutan2yl)acetamide
CC(CCC1=CC=CC=C1)NC(=O)CSC2=NN=C3N2C4=C(C5=C(S4)CCCC5)C(=O)N3CCC6=CC=CC=C6
InChI=1SC31H33N5O2S2c121(161722104251122)3226(37)20393134333035(191823126371323)28(38)272414891525(24)4029(27)36(30)31h27101321H891420H21H3(H3237)
MFCD03298313
ZINC000001774539
ZINC000001774541
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