Vitas-M small molecule compound
2-{[4-methyl-5-(4-{[(2-methylphenyl)carbonyl]amino}phenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoic acid
Catalog ID
STL357643
SMILES OC(=O)C(Sc1nnc(n1C)c1ccc(cc1)NC(=O)c1ccccc1C)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 C20H20N4O3S MW 396.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N4O3S/c1-12-6-4-5-7-16(12)18(25)21-15-10-8-14(9-11-15)17-22-23-20(24(17)3)28-13(2)19(26)27/h4-11,13H,1-3H3,(H,21,25)(H,26,27)InChIKey
YMFZHHDVDGPLCK-UHFFFAOYSA-NSynonyms
443637-33-02((4methyl5(4(((2methylphenyl)carbonyl)amino)phenyl)4H124triazol3yl)sulfanyl)propanoicacid
2((4METHYL5(4((2METHYLBENZOYL)AMINO)PHENYL)124TRIAZOL3YL)SULFANYL)PROPANOICACID
2((4methyl5(4(2methylbenzamido)phenyl)4H124triazol3yl)thio)propanoicacid
2(4METHYL5(4(2METHYLBENZOYLAMINO)PHENYL)4H(124)TRIAZOL3YLSULFANYL)PROPIONICACID
443637330
CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C3=NN=C(N3C)SC(C)C(=O)O
InChI=1SC20H20N4O3Sc112645716(12)18(25)211510814(91115)17222320(24(17)3)2813(2)19(26)27h41113H13H3(H2125)(H2627)
MFCD02953625
ZINC000000713405
ZINC000000713406
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