Vitas-M small molecule compound
(6E)-6-(4-{2-[4-(butan-2-yl)phenoxy]ethoxy}-3,5-dimethoxybenzylidene)-5-imino-2-(3-methylphenyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK072624
SMILES CCC(c1ccc(cc1)OCCOc1c(OC)cc(cc1OC)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)c1cccc(c1)C)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 C33H34N4O5S MW 598.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H34N4O5S/c1-6-21(3)23-10-12-25(13-11-23)41-14-15-42-29-27(39-4)18-22(19-28(29)40-5)17-26-30(34)37-33(35-31(26)38)43-32(36-37)24-9-7-8-20(2)16-24/h7-13,16-19,21,34H,6,14-15H2,1-5H3/b26-17+,34-30-InChIKey
PPONVHUHMXIVIH-IFPQKYMZSA-NSynonyms
(6E)6(4(2(4(butan2yl)phenoxy)ethoxy)35dimethoxybenzylidene)5imino2(3methylphenyl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
CCC(c1ccc(cc1)OCCOc1c(OC)cc(cc1OC)C=C1C(=O)N=c2n(C1=N)nc(s2)c1cccc(c1)C)C
MFCD05977605
STK072624
ZINC000097958962
ZINC000097958963
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