Vitas-M small molecule compound
ethyl (2Z)-5-(1,3-benzodioxol-5-yl)-3-oxo-7-phenyl-2-(pyridin-4-ylmethylidene)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL164280
SMILES CCOC(=O)C1=C(N=c2n(C1c1ccc3c(c1)OCO3)c(=O)/c(=C/c1ccncc1)/s2)c1ccccc1
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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 C28H21N3O5S MW 511.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H21N3O5S/c1-2-34-27(33)23-24(18-6-4-3-5-7-18)30-28-31(25(23)19-8-9-20-21(15-19)36-16-35-20)26(32)22(37-28)14-17-10-12-29-13-11-17/h3-15,25H,2,16H2,1H3/b22-14-InChIKey
NVNAIJREYDDYOT-HMAPJEAMSA-NSynonyms
CCOC(=O)C1=C(N=c2n(C1c1ccc3c(c1)OCO3)c(=O)c(=Cc1ccncc1)s2)c1ccccc1
CCOC(=O)C1=C(N=C2N(C1C3=CC4=C(C=C3)OCO4)C(=O)C(=CC5=CC=NC=C5)S2)C6=CC=CC=C6
ethyl(2Z)5(13benzodioxol5yl)3oxo7phenyl2(pyridin4ylmethylidene)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2Z)5(13BENZODIOXOL5YL)3OXO7PHENYL2(PYRIDIN4YLMETHYLIDENE)5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ETHYL5(13BENZODIOXOL5YL)3OXO7PHENYL2(4PYRIDINYLMETHYLENE)23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC28H21N3O5Sc123427(33)2324(186435718)302831(25(23)19892021(1519)36163520)26(32)22(3728)1417101229131117h31525H216H21H3b2214
MFCD03082238
ZINC000008437861
ZINC000013282841
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