Vitas-M small molecule compound
ethyl (2E)-2-(1-ethyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-5-(4-fluorophenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK113647
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)F)c(=O)/c(=C/1\C(=O)N(c3c1cccc3)CC)/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 C26H22FN3O4S MW 491.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22FN3O4S/c1-4-29-18-9-7-6-8-17(18)20(23(29)31)22-24(32)30-21(15-10-12-16(27)13-11-15)19(25(33)34-5-2)14(3)28-26(30)35-22/h6-13,21H,4-5H2,1-3H3/b22-20+InChIKey
QJZNHTCMAVKYOD-LSDHQDQOSA-NSynonyms
CCN1C2=CC=CC=C2C(=C3C(=O)N4C(C(=C(N=C4S3)C)C(=O)OCC)C5=CC=C(C=C5)F)C1=O
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)F)c(=O)c(=C1C(=O)N(c3c1cccc3)CC)s2
ETHYL(2E)2(1ETHYL2OXO12DIHYDRO3HINDOL3YLIDENE)5(4FLUOROPHENYL)7METHYL3OXO23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ETHYL(2E)2(1ETHYL2OXOINDOL3YLIDENE)5(4FLUOROPHENYL)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC26H22FN3O4Sc142918976817(18)20(23(29)31)2224(32)3021(15101216(27)131115)19(25(33)3452)14(3)2826(30)3522h61321H45H213H3b2220+
MFCD08671350
ZINC000001413764
ZINC000001413766
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