Vitas-M small molecule compound
3-{[3-(phenylcarbamoyl)-5-(propan-2-yl)thiophen-2-yl]carbamoyl}bicyclo[2.2.1]heptane-2-carboxylic acid
Catalog ID
STK468822
SMILES O=C(C1C2CCC(C1C(=O)O)C2)Nc1sc(cc1C(=O)Nc1ccccc1)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 C23H26N2O4S MW 426.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26N2O4S/c1-12(2)17-11-16(20(26)24-15-6-4-3-5-7-15)22(30-17)25-21(27)18-13-8-9-14(10-13)19(18)23(28)29/h3-7,11-14,18-19H,8-10H2,1-2H3,(H,24,26)(H,25,27)(H,28,29)InChIKey
ITZYXHBHKCGWKW-UHFFFAOYSA-NSynonyms
2((3(phenylcarbamoyl)5propan2ylthiophen2yl)carbamoyl)bicyclo(221)heptane3carboxylicacid
3((3(phenylcarbamoyl)5(propan2yl)thiophen2yl)carbamoyl)bicyclo(221)heptane2carboxylicacid
3(N(5(METHYLETHYL)3(NPHENYLCARBAMOYL)2THIENYL)CARBAMOYL)BICYCLO(221)HEPTANE2CARBOXYLICACID
CC(C)C1=CC(=C(S1)NC(=O)C2C3CCC(C3)C2C(=O)O)C(=O)NC4=CC=CC=C4
InChI=1SC23H26N2O4Sc112(2)171116(20(26)24156435715)22(3017)2521(27)18138914(1013)19(18)23(28)29h3711141819H810H212H3(H2426)(H2527)(H2829)
MFCD06025359
ZINC000102335158
ZINC000138986245
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