Vitas-M small molecule compound
3-({3-[(4-methylbenzyl)carbamoyl]-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}carbamoyl)bicyclo[2.2.1]heptane-2-carboxylic acid
Catalog ID
STK493008
SMILES CCC(C1CCc2c(C1)sc(c2C(=O)NCc1ccc(cc1)C)NC(=O)C1C2CCC(C1C(=O)O)C2)(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 C31H40N2O4S MW 536.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H40N2O4S/c1-5-31(3,4)21-12-13-22-23(15-21)38-29(26(22)27(34)32-16-18-8-6-17(2)7-9-18)33-28(35)24-19-10-11-20(14-19)25(24)30(36)37/h6-9,19-21,24-25H,5,10-16H2,1-4H3,(H,32,34)(H,33,35)(H,36,37)InChIKey
HQZPHDWOFCAGRM-UHFFFAOYSA-NSynonyms
2((6(2methylbutan2yl)3((4methylphenyl)methylcarbamoyl)4567tetrahydro1benzothiophen2yl)carbamoyl)bicyclo(221)heptane3carboxylicacid
3((3((4methylbenzyl)carbamoyl)6(2methylbutan2yl)4567tetrahydro1benzothiophen2yl)carbamoyl)bicyclo(221)heptane2carboxylicacid
CCC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)NCC3=CC=C(C=C3)C)NC(=O)C4C5CCC(C5)C4C(=O)O
InChI=1SC31H40N2O4Sc1531(34)2112132223(1521)3829(26(22)27(34)3216188617(2)7918)3328(35)2419101120(1419)25(24)30(36)37h6919212425H51016H214H3(H3234)(H3335)(H3637)
MFCD06021298
ZINC000245227500
ZINC000245227503
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