Vitas-M small molecule compound
2-{[5-(4-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
Catalog ID
STL299002
SMILES C=CCn1c(SCC(=O)Nc2ccc(cc2)c2nc3c(s2)cc(cc3)C)nnc1c1ccc(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 C27H22ClN5OS2 MW 532.09 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22ClN5OS2/c1-3-14-33-25(18-5-9-20(28)10-6-18)31-32-27(33)35-16-24(34)29-21-11-7-19(8-12-21)26-30-22-13-4-17(2)15-23(22)36-26/h3-13,15H,1,14,16H2,2H3,(H,29,34)InChIKey
NIWBPHLJOYOCQW-UHFFFAOYSA-NSynonyms
862118-46-52((4allyl5(4chlorophenyl)4H124triazol3yl)thio)N(4(6methylbenzo(d)thiazol2yl)phenyl)acetamide
2((5(4chlorophenyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)N(4(6methyl13benzothiazol2yl)phenyl)acetamide
2((5(4CHLOROPHENYL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)N(4(6METHYL13BENZOTHIAZOL2YL)PHENYL)ACETAMIDE
2(5(4CHLOROPHENYL)4PROP2ENYL(124TRIAZOL3YLTHIO))N(4(6METHYLBENZOTHIAZOL2YL)PHENYL)ACETAMIDE
862118465
CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)CSC4=NN=C(N4CC=C)C5=CC=C(C=C5)Cl
InChI=1SC27H22ClN5OS2c13143325(185920(28)10618)313227(33)351624(34)292111719(81221)26302213417(2)1523(22)3626h31315H11416H22H3(H2934)
MFCD05687312
ZINC000097958265
ZINC97958265
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