Vitas-M small molecule compound
2-{[4-cyclohexyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(2Z)-5-oxo-7-(thiophen-2-yl)-5,6,7,8-tetrahydroquinazolin-2(1H)-ylidene]acetamide
Catalog ID
STK561533
SMILES O=C(/N=c/1\ncc2c([nH]1)CC(CC2=O)c1cccs1)CSc1nnc(n1C1CCCCC1)c1cccnc1
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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 C27H27N7O2S2 MW 545.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N7O2S2/c35-22-13-18(23-9-5-11-37-23)12-21-20(22)15-29-26(30-21)31-24(36)16-38-27-33-32-25(17-6-4-10-28-14-17)34(27)19-7-2-1-3-8-19/h4-6,9-11,14-15,18-19H,1-3,7-8,12-13,16H2,(H,29,30,31,36)InChIKey
VQUQCFRWHQDINN-UHFFFAOYSA-NSynonyms
442668-83-92((4cyclohexyl5(pyridin3yl)4H124triazol3yl)sulfanyl)N((2Z)5oxo7(thiophen2yl)5678tetrahydroquinazolin2(1H)ylidene)acetamide
MFCD03806823
O=C(N=c1ncc2c((nH)1)CC(CC2=O)c1cccs1)CSc1nnc(n1C1CCCCC1)c1cccnc1
ZINC000002224225
ZINC000002224228
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