Vitas-M small molecule compound
3-{[3-(cyclopropylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
Catalog ID
STK470853
SMILES OC(=O)C1C2CCC(C1C(=O)Nc1sc3c(c1C(=O)NC1CC1)CCCC3)C=C2
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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 C22H26N2O4S MW 414.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N2O4S/c25-19(16-11-5-7-12(8-6-11)17(16)22(27)28)24-21-18(20(26)23-13-9-10-13)14-3-1-2-4-15(14)29-21/h5,7,11-13,16-17H,1-4,6,8-10H2,(H,23,26)(H,24,25)(H,27,28)InChIKey
UNFDFCNSHHFYHV-UHFFFAOYSA-NSynonyms
2((3(cyclopropylcarbamoyl)4567tetrahydro1benzothiophen2yl)carbamoyl)bicyclo(222)oct5ene3carboxylicacid
3((3(cyclopropylcarbamoyl)4567tetrahydro1benzothiophen2yl)carbamoyl)bicyclo(222)oct5ene2carboxylicacid
C1CCC2=C(C1)C(=C(S2)NC(=O)C3C4CCC(C3C(=O)O)C=C4)C(=O)NC5CC5
InChI=1SC22H26N2O4Sc2519(16115712(8611)17(16)22(27)28)242118(20(26)231391013)14312415(14)2921h5711131617H146810H2(H2326)(H2425)(H2728)
MFCD06021794
ZINC000102339679
ZINC000239415471
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