Vitas-M small molecule compound
methyl 6-tert-butyl-2-({[2-(3-methylphenyl)quinolin-4-yl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK420476
SMILES COC(=O)c1c(NC(=O)c2cc(nc3c2cccc3)c2cccc(c2)C)sc2c1CCC(C2)C(C)(C)C
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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 C31H32N2O3S MW 512.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H32N2O3S/c1-18-9-8-10-19(15-18)25-17-23(21-11-6-7-12-24(21)32-25)28(34)33-29-27(30(35)36-5)22-14-13-20(31(2,3)4)16-26(22)37-29/h6-12,15,17,20H,13-14,16H2,1-5H3,(H,33,34)InChIKey
NEFAYDGAOFWVLR-UHFFFAOYSA-NSynonyms
353770-04-4353770044
CC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C5=C(S4)CC(CC5)C(C)(C)C)C(=O)OC
InChI=1SC31H32N2O3Sc118981019(1518)251723(2111671224(21)3225)28(34)332927(30(35)365)22141320(31(23)4)1626(22)3729h612151720H131416H215H3(H3334)
methyl6tertbutyl2(((2(3methylphenyl)quinolin4yl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl6tertbutyl2((2(3methylphenyl)quinoline4carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD01921538
ZINC000002086397
ZINC000002086398
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