Vitas-M small molecule compound

ethyl 4-(5-{(Z)-[6-(4-methylbenzyl)-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene]methyl}furan-2-yl)benzoate

Catalog ID
STK904634
SMILES CCOC(=O)c1ccc(cc1)c1ccc(o1)/C=c/1\sc2n(c1=O)nc(c(=O)n2)Cc1ccc(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 C27H21N3O5S MW 499.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21N3O5S/c1-3-34-26(33)19-10-8-18(9-11-19)22-13-12-20(35-22)15-23-25(32)30-27(36-23)28-24(31)21(29-30)14-17-6-4-16(2)5-7-17/h4-13,15H,3,14H2,1-2H3/b23-15-
InChIKey
VDVKRIJDELAUIS-HAHDFKILSA-N
Synonyms
620581-39-7
(Z)ethyl4(5((6(4methylbenzyl)37dioxo37dihydro2Hthiazolo(32b)(124)triazin2ylidene)methyl)furan2yl)benzoate
620581397
CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=C3C(=O)N4C(=NC(=O)C(=N4)CC5=CC=C(C=C5)C)S3
CCOC(=O)c1ccc(cc1)c1ccc(o1)C=c1sc2n(c1=O)nc(c(=O)n2)Cc1ccc(cc1)C
ETHYL4(5((Z)(6((4METHYLPHENYL)METHYL)37DIOXO(13)THIAZOLO(32B)(124)TRIAZIN2YLIDENE)METHYL)FURAN2YL)BENZOATE
ethyl4(5((Z)(6(4methylbenzyl)37dioxo7H(13)thiazolo(32b)(124)triazin2(3H)ylidene)methyl)furan2yl)benzoate
InChI=1SC27H21N3O5Sc133426(33)1910818(91119)22131220(3522)152325(32)3027(3623)2824(31)21(2930)14176416(2)5717h41315H314H212H3b2315
MFCD03535575
ZINC000013758519
ZINC13758519

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Available files

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