Vitas-M small molecule compound
methyl 4-[({[5-(2-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Catalog ID
STL297410
SMILES C=CCn1c(SCC(=O)Nc2ccc(cc2)C(=O)OC)nnc1c1ccccc1Cl
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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 C21H19ClN4O3S MW 442.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19ClN4O3S/c1-3-12-26-19(16-6-4-5-7-17(16)22)24-25-21(26)30-13-18(27)23-15-10-8-14(9-11-15)20(28)29-2/h3-11H,1,12-13H2,2H3,(H,23,27)InChIKey
SNZJUMJTTALVQN-UHFFFAOYSA-NSynonyms
848921-78-8848921788
COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=CC=C3Cl
InChI=1SC21H19ClN4O3Sc13122619(16645717(16)22)242521(26)301318(27)231510814(91115)20(28)292h311H11213H22H3(H2327)
methyl4((((5(2chlorophenyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)acetyl)amino)benzoate
METHYL4((2((5(2CHLOROPHENYL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
methyl4(2((4allyl5(2chlorophenyl)4H124triazol3yl)thio)acetamido)benzoate
METHYL4(2((5(2CHLOROPHENYL)4(PROP2EN1YL)4H124TRIAZOL3YL)SULFANYL)ACETAMIDO)BENZOATE
METHYL4(2(5(2CHLOROPHENYL)4PROP2ENYL124TRIAZOL3YLTHIO)ACETYLAMINO)BENZOATE
MFCD05677492
ZINC000002442655
ZINC02442655
ZINC2442655
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