Vitas-M small molecule compound

ethyl 4-(5-{(E)-[2-(2-methylphenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}furan-2-yl)benzoate

Catalog ID
STK704141
SMILES CCOC(=O)c1ccc(cc1)c1ccc(o1)/C=c\1/sc2n(c1=O)nc(n2)c1ccccc1C

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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 C25H19N3O4S MW 457.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H19N3O4S/c1-3-31-24(30)17-10-8-16(9-11-17)20-13-12-18(32-20)14-21-23(29)28-25(33-21)26-22(27-28)19-7-5-4-6-15(19)2/h4-14H,3H2,1-2H3/b21-14+
InChIKey
QYCOGRJNQXEPKY-KGENOOAVSA-N
Synonyms

(Z)ethyl4(5((6oxo2(otolyl)thiazolo(32b)(124)triazol5(6H)ylidene)methyl)furan2yl)benzoate
CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=C3C(=O)N4C(=NC(=N4)C5=CC=CC=C5C)S3
CCOC(=O)c1ccc(cc1)c1ccc(o1)C=c1sc2n(c1=O)nc(n2)c1ccccc1C
ETHYL4(5((2(2METHYLPHENYL)6OXO5H6H(124)TRIAZOLO(32B)(13)THIAZOL5YLIDENE)METHYL)FURAN2YL)BENZOATE
ethyl4(5((E)(2(2methylphenyl)6oxo(13)thiazolo(32b)(124)triazol5(6H)ylidene)methyl)furan2yl)benzoate
ETHYL4(5((E)(2(2METHYLPHENYL)6OXO(13)THIAZOLO(32B)(124)TRIAZOL5YLIDENE)METHYL)FURAN2YL)BENZOATE
InChI=1SC25H19N3O4Sc133124(30)1710816(91117)20131218(3220)142123(29)2825(3321)2622(2728)19754615(19)2h414H3H212H3b2114+
MFCD04446397
ZINC000019927730
ZINC19927730

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Available files

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