Vitas-M small molecule compound

2-{[5-(3,4-dimethoxyphenyl)-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
STK496309
SMILES C=CCn1c(SCC(=O)Nc2ccc(cc2)c2nc3c(s2)cc(cc3)C)nnc1c1ccc(c(c1)OC)OC

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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 C29H27N5O3S2 MW 557.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27N5O3S2/c1-5-14-34-27(20-9-13-23(36-3)24(16-20)37-4)32-33-29(34)38-17-26(35)30-21-10-7-19(8-11-21)28-31-22-12-6-18(2)15-25(22)39-28/h5-13,15-16H,1,14,17H2,2-4H3,(H,30,35)
InChIKey
UNMXRCCFARRCER-UHFFFAOYSA-N
Synonyms

2((5(34dimethoxyphenyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)N(4(6methyl13benzothiazol2yl)phenyl)acetamide
2((5(34dimethoxyphenyl)4prop2enyl124triazol3yl)sulfanyl)N(4(6methyl13benzothiazol2yl)phenyl)acetamide
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)OC)OC
InChI=1SC29H27N5O3S2c15143427(2091323(363)24(1620)374)323329(34)381726(35)302110719(81121)28312212618(2)1525(22)3928h5131516H11417H224H3(H3035)
MFCD06189011
ZINC000097959317
ZINC97959317

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Available files

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