Vitas-M small molecule compound

ethyl 4-[(7Z)-6-oxo-7-(thiophen-2-ylmethylidene)-6,7-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-3(4H)-yl]benzoate

Catalog ID
STK072712
SMILES CCOC(=O)c1ccc(cc1)N1CN=c2n(C1)c(=O)/c(=C/c1cccs1)/s2

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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 C19H17N3O3S2 MW 399.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17N3O3S2/c1-2-25-18(24)13-5-7-14(8-6-13)21-11-20-19-22(12-21)17(23)16(27-19)10-15-4-3-9-26-15/h3-10H,2,11-12H2,1H3/b16-10-
InChIKey
UZFJVGGJWRZTQY-YBEGLDIGSA-N
Synonyms
690695-80-8
(Z)ethyl4(6oxo7(thiophen2ylmethylene)67dihydro2Hthiazolo(32a)(135)triazin3(4H)yl)benzoate
690695808
CCOC(=O)C1=CC=C(C=C1)N2CN=C3N(C2)C(=O)C(=CC4=CC=CS4)S3
CCOC(=O)c1ccc(cc1)N1CN=c2n(C1)c(=O)c(=Cc1cccs1)s2
ETHYL4((7Z)6OXO7(THIOPHEN2YLMETHYLIDENE)24DIHYDRO(13)THIAZOLO(32A)(135)TRIAZIN3YL)BENZOATE
ETHYL4((7Z)6OXO7(THIOPHEN2YLMETHYLIDENE)67DIHYDRO2H(13)THIAZOLO(32A)(135)TRIAZIN3(4H)YL)BENZOATE
InChI=1SC19H17N3O3S2c122518(24)135714(8613)2111201922(1221)17(23)16(2719)10154392615h310H21112H21H3b1610
MFCD03683591
STK072712
ZINC000001133843
ZINC01133843
ZINC1133843

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.