Vitas-M small molecule compound
methyl 2-{[({2-[3-(propan-2-yloxy)phenyl]quinolin-4-yl}carbonyl)carbamothioyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Catalog ID
STK681836
SMILES COC(=O)c1c(NC(=S)NC(=O)c2cc(nc3c2cccc3)c2cccc(c2)OC(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 C32H33N3O4S2 MW 587.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H33N3O4S2/c1-19(2)39-21-12-10-11-20(17-21)26-18-24(22-13-8-9-15-25(22)33-26)29(36)34-32(40)35-30-28(31(37)38-3)23-14-6-4-5-7-16-27(23)41-30/h8-13,15,17-19H,4-7,14,16H2,1-3H3,(H2,34,35,36,40)InChIKey
SZDYYUPWYXARLC-UHFFFAOYSA-NSynonyms
578000-55-2578000552
CC(C)OC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC(=S)NC4=C(C5=C(S4)CCCCCC5)C(=O)OC
InChI=1SC32H33N3O4S2c119(2)392112101120(1721)261824(2213891525(22)3326)29(36)3432(40)353028(31(37)383)231464571627(23)4130h813151719H471416H213H3(H234353640)
methyl2((((2(3(propan2yloxy)phenyl)quinolin4yl)carbonyl)carbamothioyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
methyl2((2(3propan2yloxyphenyl)quinoline4carbonyl)carbamothioylamino)456789hexahydrocycloocta(b)thiophene3carboxylate
methyl2(3(2(3isopropoxyphenyl)quinoline4carbonyl)thioureido)456789hexahydrocycloocta(b)thiophene3carboxylate
MFCD03820284
ZINC000001815363
ZINC01815363
ZINC1815363
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