Vitas-M small molecule compound
4-[5-({2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl}sulfanyl)-1H-tetrazol-1-yl]benzoic acid
Catalog ID
STK514354
SMILES N#Cc1c(NC(=O)CSc2nnnn2c2ccc(cc2)C(=O)O)sc2c1CCCC2
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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 C19H16N6O3S2 MW 440.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16N6O3S2/c20-9-14-13-3-1-2-4-15(13)30-17(14)21-16(26)10-29-19-22-23-24-25(19)12-7-5-11(6-8-12)18(27)28/h5-8H,1-4,10H2,(H,21,26)(H,27,28)InChIKey
ZGZFWRGBZDOTKB-UHFFFAOYSA-NSynonyms
1091752-97-41091752974
4(5((2((3cyano4567tetrahydro1benzothiophen2yl)amino)2oxoethyl)sulfanyl)1Htetrazol1yl)benzoicacid
4(5((2((3cyano4567tetrahydrobenzo(b)thiophen2yl)amino)2oxoethyl)thio)1Htetrazol1yl)benzoicacid
4(5(2((3cyano4567tetrahydro1benzothiophen2yl)amino)2oxoethyl)sulfanyltetrazol1yl)benzoicacid
C1CCC2=C(C1)C(=C(S2)NC(=O)CSC3=NN=NN3C4=CC=C(C=C4)C(=O)O)C#N
InChI=1SC19H16N6O3S2c2091413312415(13)3017(14)2116(26)10291922232425(19)127511(6812)18(27)28h58H1410H2(H2126)(H2728)
MFCD13370729
ZINC000019853931
ZINC19853931
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