Vitas-M small molecule compound
2-{[4-(4-chlorophenyl)-5-oxo-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-methoxyphenyl)acetamide
Catalog ID
STK720489
SMILES COc1ccc(cc1)NC(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2c1ccc(cc1)Cl)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 C26H22ClN5O3S2 MW 552.08 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22ClN5O3S2/c1-35-18-12-8-16(9-13-18)28-21(33)14-36-26-30-29-25-31(17-10-6-15(27)7-11-17)23(34)22-19-4-2-3-5-20(19)37-24(22)32(25)26/h6-13H,2-5,14H2,1H3,(H,28,33)InChIKey
ZYWFZOBNRDWSKV-UHFFFAOYSA-NSynonyms
2((4(4chlorophenyl)5oxo456789hexahydro(1)benzothieno(32e)(124)triazolo(43a)pyrimidin1yl)sulfanyl)N(4methoxyphenyl)acetamide
2((4(4chlorophenyl)5oxo456789hexahydrobenzo(45)thieno(32e)(124)triazolo(43a)pyrimidin1yl)thio)N(4methoxyphenyl)acetamide
COC1=CC=C(C=C1)NC(=O)CSC2=NN=C3N2C4=C(C5=C(S4)CCCC5)C(=O)N3C6=CC=C(C=C6)Cl
InChI=1SC26H22ClN5O3S2c1351812816(91318)2821(33)14362630292531(1710615(27)71117)23(34)2219423520(19)3724(22)32(25)26h613H2514H21H3(H2833)
MFCD04028802
ZINC000001897806
ZINC01897806
ZINC1897806
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