Vitas-M small molecule compound

N-(1,3-benzothiazol-2-yl)-2-{[5-(4-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

Catalog ID
STK131779
SMILES C=CCn1c(SCC(=O)Nc2nc3c(s2)cccc3)nnc1c1ccc(cc1)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 C21H19N5OS2 MW 421.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N5OS2/c1-3-12-26-19(15-10-8-14(2)9-11-15)24-25-21(26)28-13-18(27)23-20-22-16-6-4-5-7-17(16)29-20/h3-11H,1,12-13H2,2H3,(H,22,23,27)
InChIKey
OCMOJIINQLTTMB-UHFFFAOYSA-N
Synonyms

2(4ALLYL5PTOLYL4H(124)TRIAZOL3YLSULFANYL)NBENZOTHIAZOL2YLACETAMIDE
CC1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC(=O)NC3=NC4=CC=CC=C4S3
InChI=1SC21H19N5OS2c13122619(1510814(2)91115)242521(26)281318(27)23202216645717(16)2920h311H11213H22H3(H222327)
MFCD04405787
N(13BENZOTHIAZOL2YL)2((5(4METHYLPHENYL)4(PROP2EN1YL)4H124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(13BENZOTHIAZOL2YL)2((5(4METHYLPHENYL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)ACETAMIDE
ZINC000002853819
ZINC02853819
ZINC2853819

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Available files

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