Vitas-M small molecule compound
N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide
Catalog ID
STK301386
SMILES N#Cc1c(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 C31H30N4O2S2 MW 554.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H30N4O2S2/c1-19(2)18-37-21-10-8-9-20(15-21)27-16-24(22-11-6-7-13-26(22)33-27)29(36)34-31(38)35-30-25(17-32)23-12-4-3-5-14-28(23)39-30/h6-11,13,15-16,19H,3-5,12,14,18H2,1-2H3,(H2,34,35,36,38)InChIKey
AQRIBSLWHKVYPI-UHFFFAOYSA-NSynonyms
438195-23-4438195234
CC(C)COC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC(=S)NC4=C(C5=C(S4)CCCCC5)C#N
InChI=1SC31H30N4O2S2c119(2)183721108920(1521)271624(2211671326(22)3327)29(36)3431(38)353025(1732)23124351428(23)3930h61113151619H35121418H212H3(H234353638)
MFCD03073826
N((3cyano5678tetrahydro4Hcyclohepta(b)thiophen2yl)carbamothioyl)2(3(2methylpropoxy)phenyl)quinoline4carboxamide
ZINC000002777107
ZINC02777107
ZINC2777107
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