Vitas-M small molecule compound
2-{[5-{[(4-iodophenyl)amino]methyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
Catalog ID
STK957646
SMILES C=CCn1c(SCC(=O)Nc2ccc(cc2)OC)nnc1CNc1ccc(cc1)I
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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 C21H22IN5O2S MW 535.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22IN5O2S/c1-3-12-27-19(13-23-16-6-4-15(22)5-7-16)25-26-21(27)30-14-20(28)24-17-8-10-18(29-2)11-9-17/h3-11,23H,1,12-14H2,2H3,(H,24,28)InChIKey
BYJXUQIGVHRMTL-UHFFFAOYSA-NSynonyms
679424-70-52((5(((4iodophenyl)amino)methyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)N(4methoxyphenyl)acetamide
2((5((4iodoanilino)methyl)4prop2enyl124triazol3yl)sulfanyl)N(4methoxyphenyl)acetamide
679424705
COC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)CNC3=CC=C(C=C3)I
InChI=1SC21H22IN5O2Sc13122719(1323166415(22)5716)252621(27)301420(28)241781018(292)11917h31123H11214H22H3(H2428)
MFCD01436576
ZINC000002742454
ZINC2742454
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