Vitas-M small molecule compound
methyl 2-{[({2-[3-(2-methylpropoxy)phenyl]quinolin-4-yl}carbonyl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK301415
SMILES COC(=O)c1c(NC(=S)NC(=O)c2cc(nc3c2cccc3)c2cccc(c2)OCC(C)C)sc2c1CCCC2
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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 C31H31N3O4S2 MW 573.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H31N3O4S2/c1-18(2)17-38-20-10-8-9-19(15-20)25-16-23(21-11-4-6-13-24(21)32-25)28(35)33-31(39)34-29-27(30(36)37-3)22-12-5-7-14-26(22)40-29/h4,6,8-11,13,15-16,18H,5,7,12,14,17H2,1-3H3,(H2,33,34,35,39)InChIKey
ORXGELLJRMKUJS-UHFFFAOYSA-NSynonyms
438196-22-6438196226
CC(C)COC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC(=S)NC4=C(C5=C(S4)CCCC5)C(=O)OC
InChI=1SC31H31N3O4S2c118(2)173820108919(1520)251623(2111461324(21)3225)28(35)3331(39)342927(30(36)373)2212571426(22)4029h4681113151618H57121417H213H3(H233343539)
methyl2((((2(3(2methylpropoxy)phenyl)quinolin4yl)carbonyl)carbamothioyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2((2(3(2methylpropoxy)phenyl)quinoline4carbonyl)carbamothioylamino)4567tetrahydro1benzothiophene3carboxylate
MFCD03073869
ZINC000002782961
ZINC02782961
ZINC2782961
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