Vitas-M small molecule compound
methyl 2-[({[4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Catalog ID
STK329014
SMILES COC(=O)c1c(NC(=O)CSc2nnc(n2C)c2ccncc2)sc2c1CCCCCC2
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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 C22H25N5O3S2 MW 471.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N5O3S2/c1-27-19(14-9-11-23-12-10-14)25-26-22(27)31-13-17(28)24-20-18(21(29)30-2)15-7-5-3-4-6-8-16(15)32-20/h9-12H,3-8,13H2,1-2H3,(H,24,28)InChIKey
CIEUHLSPECBKDV-UHFFFAOYSA-NSynonyms
889952-14-1889952141
CN1C(=NN=C1SCC(=O)NC2=C(C3=C(S2)CCCCCC3)C(=O)OC)C4=CC=NC=C4
InChI=1SC22H25N5O3S2c12719(1491123121014)252622(27)311317(28)242018(21(29)302)1575346816(15)3220h912H3813H212H3(H2428)
methyl2((((4methyl5(pyridin4yl)4H124triazol3yl)sulfanyl)acetyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
methyl2((2((4methyl5pyridin4yl124triazol3yl)sulfanyl)acetyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
MFCD06618448
ZINC000015021801
ZINC15021801
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