Vitas-M small molecule compound
3-[({[5-({[(2-methylphenyl)carbonyl]amino}methyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoic acid
Catalog ID
STL183097
SMILES C=CCn1c(SCC(=O)Nc2cccc(c2)C(=O)O)nnc1CNC(=O)c1ccccc1C
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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 C23H23N5O4S MW 465.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23N5O4S/c1-3-11-28-19(13-24-21(30)18-10-5-4-7-15(18)2)26-27-23(28)33-14-20(29)25-17-9-6-8-16(12-17)22(31)32/h3-10,12H,1,11,13-14H2,2H3,(H,24,30)(H,25,29)(H,31,32)InChIKey
SZQFVKFBGBQJPR-UHFFFAOYSA-NSynonyms
3((((5((((2methylphenyl)carbonyl)amino)methyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)acetyl)amino)benzoicacid
3((((5(((2METHYLBENZOYL)AMINO)METHYL)4(PROP2EN1YL)4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOICACID
3((2((5(((2METHYLBENZOYL)AMINO)METHYL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOICACID
CC1=CC=CC=C1C(=O)NCC2=NN=C(N2CC=C)SCC(=O)NC3=CC=CC(=C3)C(=O)O
InChI=1SC23H23N5O4Sc13112819(132421(30)181054715(18)2)262723(28)331420(29)251796816(1217)22(31)32h31012H1111314H22H3(H2430)(H2529)(H3132)
MFCD05988933
ZINC000002851160
ZINC2851160
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