Vitas-M small molecule compound
4-benzyl-1-[(2-oxo-2-phenylethyl)sulfanyl]-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Catalog ID
STK050090
SMILES O=C(c1ccccc1)CSc1nnc2n1c1sc3c(c1c(=O)n2Cc1ccccc1)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 C26H22N4O2S2 MW 486.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22N4O2S2/c31-20(18-11-5-2-6-12-18)16-33-26-28-27-25-29(15-17-9-3-1-4-10-17)23(32)22-19-13-7-8-14-21(19)34-24(22)30(25)26/h1-6,9-12H,7-8,13-16H2InChIKey
XIPFEBPMOGVIJO-UHFFFAOYSA-NSynonyms
331964-54-6331964546
4benzyl1((2oxo2phenylethyl)sulfanyl)6789tetrahydro(1)benzothieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
4benzyl1((2oxo2phenylethyl)thio)6789tetrahydrobenzo(45)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
C1CCC2=C(C1)C3=C(S2)N4C(=NN=C4SCC(=O)C5=CC=CC=C5)N(C3=O)CC6=CC=CC=C6
InChI=1SC26H22N4O2S2c3120(18115261218)16332628272529(151793141017)23(32)221913781421(19)3424(22)30(25)26h16912H781316H2
MFCD01465754
O=C(c1ccccc1)CSc1nnc2n1c1sc3c(c1c(=O)n2Cc1ccccc1)CCCC3
STK050090
ZINC000002266005
ZINC02266005
ZINC2266005
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