Vitas-M small molecule compound
2-{[5-{[(4-chlorophenyl)amino]methyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methoxyphenyl)acetamide
Catalog ID
STL172602
SMILES C=CCn1c(SCC(=O)Nc2ccccc2OC)nnc1CNc1ccc(cc1)Cl
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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 C21H22ClN5O2S MW 443.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22ClN5O2S/c1-3-12-27-19(13-23-16-10-8-15(22)9-11-16)25-26-21(27)30-14-20(28)24-17-6-4-5-7-18(17)29-2/h3-11,23H,1,12-14H2,2H3,(H,24,28)InChIKey
ZWVRESGHNIXGJO-UHFFFAOYSA-NSynonyms
352694-05-42((4ALLYL5((4CHLOROANILINO)METHYL)4H124TRIAZOL3YL)SULFANYL)N(2METHOXYPHENYL)ACETAMIDE
2((5(((4chlorophenyl)amino)methyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)N(2methoxyphenyl)acetamide
2((5((4CHLOROANILINO)METHYL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)N(2METHOXYPHENYL)ACETAMIDE
352694054
COC1=CC=CC=C1NC(=O)CSC2=NN=C(N2CC=C)CNC3=CC=C(C=C3)Cl
InChI=1SC21H22ClN5O2Sc13122719(13231610815(22)91116)252621(27)301420(28)2417645718(17)292h31123H11214H22H3(H2428)
MFCD01436723
ZINC000000997864
ZINC00997864
ZINC997864
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