Vitas-M small molecule compound
methyl 2-{[({2-[3-(2-methylpropoxy)phenyl]quinolin-4-yl}carbonyl)carbamothioyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Catalog ID
STK301410
SMILES COC(=O)c1c(NC(=S)NC(=O)c2cc(nc3c2cccc3)c2cccc(c2)OCC(C)C)sc2c1CCCCC2
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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)18-39-21-11-9-10-20(16-21)26-17-24(22-12-7-8-14-25(22)33-26)29(36)34-32(40)35-30-28(31(37)38-3)23-13-5-4-6-15-27(23)41-30/h7-12,14,16-17,19H,4-6,13,15,18H2,1-3H3,(H2,34,35,36,40)InChIKey
JBQLSIXFDDOPFX-UHFFFAOYSA-NSynonyms
438196-11-3438196113
CC(C)COC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC(=S)NC4=C(C5=C(S4)CCCCC5)C(=O)OC
InChI=1SC32H33N3O4S2c119(2)1839211191020(1621)261724(2212781425(22)3326)29(36)3432(40)353028(31(37)383)23135461527(23)4130h71214161719H46131518H213H3(H234353640)
methyl2((((2(3(2methylpropoxy)phenyl)quinolin4yl)carbonyl)carbamothioyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
methyl2((2(3(2methylpropoxy)phenyl)quinoline4carbonyl)carbamothioylamino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
MFCD03073862
ZINC000002777477
ZINC02777477
ZINC2777477
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