Vitas-M small molecule compound
methyl {[4-(propan-2-yl)-5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Catalog ID
STK470380
SMILES COC(=O)CSc1nnc(n1C(C)C)c1csc2c1CCCC2
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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 C16H21N3O2S2 MW 351.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H21N3O2S2/c1-10(2)19-15(17-18-16(19)23-9-14(20)21-3)12-8-22-13-7-5-4-6-11(12)13/h8,10H,4-7,9H2,1-3H3InChIKey
WKFFPJDOCUNQCO-UHFFFAOYSA-NSynonyms
CC(C)N1C(=NN=C1SCC(=O)OC)C2=CSC3=C2CCCC3
InChI=1SC16H21N3O2S2c110(2)1915(171816(19)23914(20)213)1282213754611(12)13h810H479H213H3
methyl((4(propan2yl)5(4567tetrahydro1benzothiophen3yl)4H124triazol3yl)sulfanyl)acetate
methyl2((4propan2yl5(4567tetrahydro1benzothiophen3yl)124triazol3yl)sulfanyl)acetate
MFCD07075489
ZINC000017072973
ZINC17072973
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