Vitas-M small molecule compound
(6Z)-6-{4-[3-(3,4-dimethylphenoxy)propoxy]-3-methoxybenzylidene}-5-imino-2-(thiophen-2-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK727473
SMILES COc1cc(ccc1OCCCOc1ccc(c(c1)C)C)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccs1
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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 C28H26N4O4S2 MW 546.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26N4O4S2/c1-17-7-9-20(14-18(17)2)35-11-5-12-36-22-10-8-19(16-23(22)34-3)15-21-25(29)32-28(30-26(21)33)38-27(31-32)24-6-4-13-37-24/h4,6-10,13-16,29H,5,11-12H2,1-3H3/b21-15-,29-25-InChIKey
NHDZWGHIFASORL-XKWYAVLBSA-NSynonyms
530132-32-2(6Z)6(4(3(34dimethylphenoxy)propoxy)3methoxybenzylidene)5imino2(thiophen2yl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(Z)6(4(3(34dimethylphenoxy)propoxy)3methoxybenzylidene)5imino2(thiophen2yl)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
530132322
COc1cc(ccc1OCCCOc1ccc(c(c1)C)C)C=C1C(=O)N=c2n(C1=N)nc(s2)c1cccs1
MFCD03563982
ZINC000101041648
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