Vitas-M small molecule compound
6-{[4-(4-tert-butylphenyl)-3-(methoxycarbonyl)-5-methylthiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
Catalog ID
STK453232
SMILES COC(=O)c1c(NC(=O)C2CC=CCC2C(=O)O)sc(c1c1ccc(cc1)C(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 C25H29NO5S MW 455.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29NO5S/c1-14-19(15-10-12-16(13-11-15)25(2,3)4)20(24(30)31-5)22(32-14)26-21(27)17-8-6-7-9-18(17)23(28)29/h6-7,10-13,17-18H,8-9H2,1-5H3,(H,26,27)(H,28,29)InChIKey
AKNZPLGRLJFZQL-UHFFFAOYSA-NSynonyms
6(((4(4TERTBUTYLPHENYL)3(METHOXYCARBONYL)5METHYL2THIENYL)AMINO)CARBONYL)3CYCLOHEXENE1CARBOXYLICACID
6((4(4tertbutylphenyl)3(methoxycarbonyl)5methylthiophen2yl)carbamoyl)cyclohex3ene1carboxylicacid
6((4(4TERTBUTYLPHENYL)3METHOXYCARBONYL5METHYLTHIOPHEN2YL)CARBAMOYL)CYCLOHEX3ENE1CARBOXYLICACID
6(N(4(4(TERTBUTYL)PHENYL)3(METHOXYCARBONYL)5METHYL2THIENYL)CARBAMOYL)CYCLOHEX3ENECARBOXYLICACID
CC1=C(C(=C(S1)NC(=O)C2CC=CCC2C(=O)O)C(=O)OC)C3=CC=C(C=C3)C(C)(C)C
InChI=1SC25H29NO5Sc11419(15101216(131115)25(23)4)20(24(30)315)22(3214)2621(27)17867918(17)23(28)29h6710131718H89H215H3(H2627)(H2829)
MFCD02255237
ZINC000003634513
ZINC000004199844
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