Vitas-M small molecule compound
S-{[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]methyl} diphenylcarbamothioate
Catalog ID
STK928695
SMILES O=C(N(c1ccccc1)c1ccccc1)SCc1nnc2n1c1sc3c(c1c(=O)n2CCc1ccccc1)CCCC3
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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 C33H29N5O2S2 MW 591.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H29N5O2S2/c39-30-29-26-18-10-11-19-27(26)42-31(29)38-28(34-35-32(38)36(30)21-20-23-12-4-1-5-13-23)22-41-33(40)37(24-14-6-2-7-15-24)25-16-8-3-9-17-25/h1-9,12-17H,10-11,18-22H2InChIKey
MNOQLDIWSUVZPV-UHFFFAOYSA-NSynonyms
C1CCC2=C(C1)C3=C(S2)N4C(=NN=C4N(C3=O)CCC5=CC=CC=C5)CSC(=O)N(C6=CC=CC=C6)C7=CC=CC=C7
InChI=1SC33H29N5O2S2c393029261810111927(26)4231(29)3828(343532(38)36(30)212023124151323)224133(40)37(24146271524)25168391725h191217H10111822H2
MFCD03288122
S((5oxo4(2phenylethyl)456789hexahydro(1)benzothieno(32e)(124)triazolo(43a)pyrimidin1yl)methyl)diphenylcarbamothioate
S((5oxo4phenethyl456789hexahydrobenzo(45)thieno(32e)(124)triazolo(43a)pyrimidin1yl)methyl)diphenylcarbamothioate
ZINC000001787361
ZINC01787361
ZINC1787361
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