Vitas-M small molecule compound

2-{[5-(4-tert-butylphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide

Catalog ID
STL299120
SMILES O=C(Nc1ccc(cc1)c1nc2c(s1)cc(cc2)C)CSc1nnc(n1C)c1ccc(cc1)C(C)(C)C

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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 C29H29N5OS2 MW 527.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29N5OS2/c1-18-6-15-23-24(16-18)37-27(31-23)20-9-13-22(14-10-20)30-25(35)17-36-28-33-32-26(34(28)5)19-7-11-21(12-8-19)29(2,3)4/h6-16H,17H2,1-5H3,(H,30,35)
InChIKey
ZRPGMRKNBSBNRG-UHFFFAOYSA-N
Synonyms
727712-45-0
2((5(4(tertbutyl)phenyl)4methyl4H124triazol3yl)thio)N(4(6methylbenzo(d)thiazol2yl)phenyl)acetamide
2((5(4TERTBUTYLPHENYL)4METHYL124TRIAZOL3YL)SULFANYL)N(4(6METHYL13BENZOTHIAZOL2YL)PHENYL)ACETAMIDE
2((5(4tertbutylphenyl)4methyl4H124triazol3yl)sulfanyl)N(4(6methyl13benzothiazol2yl)phenyl)acetamide
2(5(4(TERTBUTYL)PHENYL)4METHYL(124TRIAZOL3YLTHIO))N(4(6METHYLBENZOTHIAZOL2YL)PHENYL)ACETAMIDE
727712450
CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)CSC4=NN=C(N4C)C5=CC=C(C=C5)C(C)(C)C
InChI=1SC29H29N5OS2c1186152324(1618)3727(3123)2091322(141020)3025(35)173628333226(34(28)5)1971121(12819)29(23)4h616H17H215H3(H3035)
MFCD04618922
ZINC000003364369
ZINC03364369
ZINC3364369

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Available files

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