Vitas-M small molecule compound
4-[(E)-(8-ethoxy-4-iminio-2-oxo-2H-pyrimido[2,1-b][1,3]benzothiazol-3(4H)-ylidene)methyl]benzoate
Catalog ID
STK590609
SMILES CCOc1ccc2c(c1)sc1=NC(=O)/C(=C/c3ccc(cc3)C(=O)[O-])/C(=[NH2+])n21
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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 C20H15N3O4S MW 393.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15N3O4S/c1-2-27-13-7-8-15-16(10-13)28-20-22-18(24)14(17(21)23(15)20)9-11-3-5-12(6-4-11)19(25)26/h3-10,21H,2H2,1H3,(H,25,26)/b14-9+,21-17?InChIKey
PCXLOIWUAYIBSB-OVDNTTTISA-NSynonyms
4((E)(8ethoxy4iminio2oxo2Hpyrimido(21b)(13)benzothiazol3(4H)ylidene)methyl)benzoate
4((E)(8ETHOXY4IMINO2OXOPYRIMIDO(21B)(13)BENZOTHIAZOL3YLIDENE)METHYL)BENZOICACID
CCOC1=CC2=C(C=C1)N3C(=N)C(=CC4=CC=C(C=C4)C(=O)O)C(=O)N=C3S2
CCOc1ccc2c(c1)sc1=NC(=O)C(=Cc3ccc(cc3)C(=O)(O))C(=(NH2+))n21
InChI=1SC20H15N3O4Sc122713781516(1013)28202218(24)14(17(21)23(15)20)9113512(6411)19(25)26h31021H2H21H3(H2526)b149+2117?
MFCD06608999
ZINC000013540803
ZINC13540803
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