Vitas-M small molecule compound
methyl 2-[({[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Catalog ID
STK261352
SMILES C=CCn1c(SCC(=O)Nc2ccccc2C(=O)OC)nnc1c1cccnc1
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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 C20H19N5O3S MW 409.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N5O3S/c1-3-11-25-18(14-7-6-10-21-12-14)23-24-20(25)29-13-17(26)22-16-9-5-4-8-15(16)19(27)28-2/h3-10,12H,1,11,13H2,2H3,(H,22,26)InChIKey
GXHWDRTVWGDMGP-UHFFFAOYSA-NSynonyms
COC(=O)C1=CC=CC=C1NC(=O)CSC2=NN=C(N2CC=C)C3=CN=CC=C3
InChI=1SC20H19N5O3Sc13112518(147610211214)232420(25)291317(26)2216954815(16)19(27)282h31012H11113H22H3(H2226)
METHYL2((((4(PROP2EN1YL)5(PYRIDIN3YL)4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
methyl2((2((4prop2enyl5pyridin3yl124triazol3yl)sulfanyl)acetyl)amino)benzoate
MFCD07024547
ZINC000008471331
ZINC08471331
ZINC8471331
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