Vitas-M small molecule compound

(2Z)-2-(3-ethoxy-4-propoxybenzylidene)-6-(4-propoxybenzyl)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione

Catalog ID
STK818459
SMILES CCCOc1ccc(cc1)Cc1nn2c(nc1=O)s/c(=C\c1ccc(c(c1)OCC)OCCC)/c2=O

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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 C27H29N3O5S MW 507.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N3O5S/c1-4-13-34-20-10-7-18(8-11-20)15-21-25(31)28-27-30(29-21)26(32)24(36-27)17-19-9-12-22(35-14-5-2)23(16-19)33-6-3/h7-12,16-17H,4-6,13-15H2,1-3H3/b24-17-
InChIKey
SHYGYTWPKRFBEG-ULJHMMPZSA-N
Synonyms
620540-58-1
(2Z)2((3ETHOXY4PROPOXYPHENYL)METHYLIDENE)6((4PROPOXYPHENYL)METHYL)(13)THIAZOLO(32B)(124)TRIAZINE37DIONE
(2Z)2(3ethoxy4propoxybenzylidene)6(4propoxybenzyl)7H(13)thiazolo(32b)(124)triazine37(2H)dione
(Z)2(3ethoxy4propoxybenzylidene)6(4propoxybenzyl)2Hthiazolo(32b)(124)triazine37dione
620540581
CCCOC1=CC=C(C=C1)CC2=NN3C(=O)C(=CC4=CC(=C(C=C4)OCCC)OCC)SC3=NC2=O
CCCOc1ccc(cc1)Cc1nn2c(nc1=O)sc(=Cc1ccc(c(c1)OCC)OCCC)c2=O
InChI=1SC27H29N3O5Sc1413342010718(81120)152125(31)282730(2921)26(32)24(3627)171991222(351452)23(1619)3363h7121617H461315H213H3b2417
MFCD05688960
ZINC000002201435
ZINC02201435
ZINC2201435

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Available files

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