Vitas-M small molecule compound
ethyl (2Z)-7-methyl-3-oxo-2-{[1-(propan-2-yl)-1H-indol-3-yl]methylidene}-5-[2-(propan-2-yloxy)phenyl]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL388079
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1OC(C)C)c(=O)/c(=C/c1cn(c3c1cccc3)C(C)C)/s2
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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 C31H33N3O4S MW 543.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H33N3O4S/c1-7-37-30(36)27-20(6)32-31-34(28(27)23-13-9-11-15-25(23)38-19(4)5)29(35)26(39-31)16-21-17-33(18(2)3)24-14-10-8-12-22(21)24/h8-19,28H,7H2,1-6H3/b26-16-InChIKey
WECUMSANVIBNNT-QQXSKIMKSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1OC(C)C)c(=O)c(=Cc1cn(c3c1cccc3)C(C)C)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=CC=C3OC(C)C)C(=O)C(=CC4=CN(C5=CC=CC=C54)C(C)C)S2)C
ethyl(2Z)7methyl3oxo2((1(propan2yl)1Hindol3yl)methylidene)5(2(propan2yloxy)phenyl)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2Z)7METHYL3OXO2((1PROPAN2YLINDOL3YL)METHYLIDENE)5(2PROPAN2YLOXYPHENYL)5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC31H33N3O4Sc173730(36)2720(6)323134(28(27)23139111525(23)3819(4)5)29(35)26(3931)16211733(18(2)3)24141081222(21)24h81928H7H216H3b2616
MFCD03166995
ZINC000003772373
ZINC000003772375
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