Vitas-M small molecule compound
methyl 2-[({[5-(4-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Catalog ID
STK147510
SMILES C=CCn1c(SCC(=O)Nc2ccccc2C(=O)OC)nnc1c1ccc(cc1)[N+](=O)[O-]
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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 C21H19N5O5S MW 453.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N5O5S/c1-3-12-25-19(14-8-10-15(11-9-14)26(29)30)23-24-21(25)32-13-18(27)22-17-7-5-4-6-16(17)20(28)31-2/h3-11H,1,12-13H2,2H3,(H,22,27)InChIKey
BLRCKXUXOQZKFQ-UHFFFAOYSA-NSynonyms
C=CCn1c(SCC(=O)Nc2ccccc2C(=O)OC)nnc1c1ccc(cc1)(N+)(=O)(O)
COC(=O)C1=CC=CC=C1NC(=O)CSC2=NN=C(N2CC=C)C3=CC=C(C=C3)(N+)(=O)(O)
InChI=1SC21H19N5O5Sc13122519(1481015(11914)26(29)30)232421(25)321318(27)2217754616(17)20(28)312h311H11213H22H3(H2227)
METHYL2((((5(4NITROPHENYL)4(PROP2EN1YL)4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
METHYL2((2((5(4NITROPHENYL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
MFCD06662805
ZINC000003559138
ZINC03559138
ZINC3559138
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