Vitas-M small molecule compound
methyl 3-[({[5-(2-methyl-1-{[(4-methylphenyl)carbonyl]amino}propyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Catalog ID
STL122916
SMILES C=CCn1c(SCC(=O)Nc2cccc(c2)C(=O)OC)nnc1C(C(C)C)NC(=O)c1ccc(cc1)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 C27H31N5O4S MW 521.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31N5O4S/c1-6-14-32-24(23(17(2)3)29-25(34)19-12-10-18(4)11-13-19)30-31-27(32)37-16-22(33)28-21-9-7-8-20(15-21)26(35)36-5/h6-13,15,17,23H,1,14,16H2,2-5H3,(H,28,33)(H,29,34)InChIKey
PJOMHKGTEHUGRW-UHFFFAOYSA-NSynonyms
CC1=CC=C(C=C1)C(=O)NC(C2=NN=C(N2CC=C)SCC(=O)NC3=CC=CC(=C3)C(=O)OC)C(C)C
InChI=1SC27H31N5O4Sc16143224(23(17(2)3)2925(34)19121018(4)111319)303127(32)371622(33)282197820(1521)26(35)365h613151723H11416H225H3(H2833)(H2934)
methyl3((((5(2methyl1(((4methylphenyl)carbonyl)amino)propyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)acetyl)amino)benzoate
METHYL3((2((5(2METHYL1((4METHYLBENZOYL)AMINO)PROPYL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
MFCD05992320
ZINC000016361394
ZINC000016361396
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