Vitas-M small molecule compound
3-{[3-(cyclopropylcarbamoyl)-4-(4-methylphenyl)thiophen-2-yl]carbamoyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Catalog ID
STK471665
SMILES O=C(C1C2C=CC(C1C(=O)O)C2)Nc1scc(c1C(=O)NC1CC1)c1ccc(cc1)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 C24H24N2O4S MW 436.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H24N2O4S/c1-12-2-4-13(5-3-12)17-11-31-23(20(17)22(28)25-16-8-9-16)26-21(27)18-14-6-7-15(10-14)19(18)24(29)30/h2-7,11,14-16,18-19H,8-10H2,1H3,(H,25,28)(H,26,27)(H,29,30)InChIKey
RXYYUQRYZDWJPC-UHFFFAOYSA-NSynonyms
2((3(cyclopropylcarbamoyl)4(4methylphenyl)thiophen2yl)carbamoyl)bicyclo(221)hept5ene3carboxylicacid
3((3(cyclopropylcarbamoyl)4(4methylphenyl)thiophen2yl)carbamoyl)bicyclo(221)hept5ene2carboxylicacid
3(N(3(NCYCLOPROPYLCARBAMOYL)4(4METHYLPHENYL)2THIENYL)CARBAMOYL)BICYCLO(221)HEPT5ENE2CARBOXYLICACID
CC1=CC=C(C=C1)C2=CSC(=C2C(=O)NC3CC3)NC(=O)C4C5CC(C4C(=O)O)C=C5
InChI=1SC24H24N2O4Sc1122413(5312)17113123(20(17)22(28)25168916)2621(27)18146715(1014)19(18)24(29)30h271114161819H810H21H3(H2528)(H2627)(H2930)
MFCD06026193
ZINC000102343510
ZINC000239203197
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