Vitas-M small molecule compound
2-bromo-4-[(E)-(5-imino-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]phenyl 3-methoxybenzoate
Catalog ID
STK082694
SMILES COc1cccc(c1)C(=O)Oc1ccc(cc1Br)/C=C\1/C(=O)N=c2n(C1=N)ncs2
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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 C20H13BrN4O4S MW 485.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H13BrN4O4S/c1-28-13-4-2-3-12(9-13)19(27)29-16-6-5-11(8-15(16)21)7-14-17(22)25-20(24-18(14)26)30-10-23-25/h2-10,22H,1H3/b14-7+,22-17-InChIKey
HZWOXCFTXRDKAJ-BRJLVVSJSA-NSynonyms
2bromo4((E)(5imino7oxo5H(134)thiadiazolo(32a)pyrimidin6(7H)ylidene)methyl)phenyl3methoxybenzoate
COc1cccc(c1)C(=O)Oc1ccc(cc1Br)C=C1C(=O)N=c2n(C1=N)ncs2
MFCD05977375
STK082694
ZINC000013893391
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