Vitas-M small molecule compound
methyl 2-[({[4-ethyl-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Catalog ID
STK493683
SMILES COC(=O)c1c(NC(=O)CSc2nnc(n2CC)C(C)C)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 C21H30N4O3S2 MW 450.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H30N4O3S2/c1-5-25-18(13(2)3)23-24-21(25)29-12-16(26)22-19-17(20(27)28-4)14-10-8-6-7-9-11-15(14)30-19/h13H,5-12H2,1-4H3,(H,22,26)InChIKey
YIDMRBNUGGKKDI-UHFFFAOYSA-NSynonyms
CCN1C(=NN=C1SCC(=O)NC2=C(C3=C(S2)CCCCCC3)C(=O)OC)C(C)C
InChI=1SC21H30N4O3S2c152518(13(2)3)232421(25)291216(26)221917(20(27)284)141086791115(14)3019h13H512H214H3(H2226)
methyl2((((4ethyl5(propan2yl)4H124triazol3yl)sulfanyl)acetyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
methyl2((2((4ethyl5propan2yl124triazol3yl)sulfanyl)acetyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
MFCD07063455
ZINC000013995505
ZINC13995505
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