Vitas-M small molecule compound
methyl 4-[({[5-phenyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Catalog ID
STK696965
SMILES C=CCn1c(SCC(=O)Nc2ccc(cc2)C(=O)OC)nnc1c1ccccc1
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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 C21H20N4O3S MW 408.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O3S/c1-3-13-25-19(15-7-5-4-6-8-15)23-24-21(25)29-14-18(26)22-17-11-9-16(10-12-17)20(27)28-2/h3-12H,1,13-14H2,2H3,(H,22,26)InChIKey
FRXDRTFVNMTPNT-UHFFFAOYSA-NSynonyms
328020-67-3328020673
COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=CC=C3
InChI=1SC21H20N4O3Sc13132519(157546815)232421(25)291418(26)221711916(101217)20(27)282h312H11314H22H3(H2226)
methyl4((((5phenyl4(prop2en1yl)4H124triazol3yl)sulfanyl)acetyl)amino)benzoate
METHYL4((2((5PHENYL4PROP2ENYL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
methyl4(2((4allyl5phenyl4H124triazol3yl)thio)acetamido)benzoate
METHYL4(2((5PHENYL4(PROP2EN1YL)4H124TRIAZOL3YL)SULFANYL)ACETAMIDO)BENZOATE
METHYL4(2(5PHENYL4PROP2ENYL124TRIAZOL3YLTHIO)ACETYLAMINO)BENZOATE
MFCD02660206
ZINC000000623094
ZINC00623094
ZINC623094
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