Vitas-M small molecule compound
N-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-7,8-dimethyl-2-(pyridin-2-yl)quinoline-4-carboxamide
Catalog ID
STK461954
SMILES NC(=O)c1c(sc2c1CCCCC2)NC(=O)c1cc(nc2c1ccc(c2C)C)c1ccccn1
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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 C27H26N4O2S MW 470.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N4O2S/c1-15-11-12-17-19(14-21(30-24(17)16(15)2)20-9-6-7-13-29-20)26(33)31-27-23(25(28)32)18-8-4-3-5-10-22(18)34-27/h6-7,9,11-14H,3-5,8,10H2,1-2H3,(H2,28,32)(H,31,33)InChIKey
PHQISKVWNKOCIK-UHFFFAOYSA-NSynonyms
CC1=C(C2=C(C=C1)C(=CC(=N2)C3=CC=CC=N3)C(=O)NC4=C(C5=C(S4)CCCCC5)C(=O)N)C
InChI=1SC27H26N4O2Sc11511121719(1421(3024(17)16(15)2)20967132920)26(33)312723(25(28)32)1884351022(18)3427h6791114H35810H212H3(H22832)(H3133)
MFCD05999658
N(3carbamoyl5678tetrahydro4Hcyclohepta(b)thiophen2yl)78dimethyl2(pyridin2yl)quinoline4carboxamide
N(3carbamoyl5678tetrahydro4Hcyclohepta(b)thiophen2yl)78dimethyl2pyridin2ylquinoline4carboxamide
ZINC000001073339
ZINC01073339
ZINC1073339
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