Vitas-M small molecule compound
N-(1,3-benzothiazol-2-yl)-5-cyano-4-(furan-2-yl)-6-({2-[(4-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-1,4-dihydropyridine-3-carboxamide
Catalog ID
STK885802
SMILES COc1ccc(cc1)NC(=O)CSC1=C(C#N)C(C(=C(N1)C)C(=O)Nc1nc2c(s1)cccc2)c1ccco1
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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 C28H23N5O4S2 MW 557.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H23N5O4S2/c1-16-24(26(35)33-28-32-20-6-3-4-8-22(20)39-28)25(21-7-5-13-37-21)19(14-29)27(30-16)38-15-23(34)31-17-9-11-18(36-2)12-10-17/h3-13,25,30H,15H2,1-2H3,(H,31,34)(H,32,33,35)InChIKey
JMJKDRVUKMBQCG-UHFFFAOYSA-NSynonyms
CC1=C(C(C(=C(N1)SCC(=O)NC2=CC=C(C=C2)OC)C#N)C3=CC=CO3)C(=O)NC4=NC5=CC=CC=C5S4
InChI=1SC28H23N5O4S2c11624(26(35)33283220634822(20)3928)25(2175133721)19(1429)27(3016)381523(34)311791118(362)121017h3132530H15H212H3(H3134)(H323335)
MFCD04219642
N(13benzothiazol2yl)5cyano4(furan2yl)6((2((4methoxyphenyl)amino)2oxoethyl)sulfanyl)2methyl14dihydropyridine3carboxamide
N(13BENZOTHIAZOL2YL)5CYANO4(FURAN2YL)6(2(4METHOXYANILINO)2OXOETHYL)SULFANYL2METHYL14DIHYDROPYRIDINE3CARBOXAMIDE
N13BENZOTHIAZOL2YL5CYANO4(2FURYL)6((2((4METHOXYPHENYL)AMINO)2OXOETHYL)THIO)2METHYL14DIHYDRO3PYRIDINECARBOXAMIDE
ZINC000059602909
ZINC000059602912
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