Vitas-M small molecule compound
4-{(E)-[5-imino-7-oxo-2-(thiophen-2-ylmethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene]methyl}phenyl 4-methylbenzoate
Catalog ID
STK114885
SMILES Cc1ccc(cc1)C(=O)Oc1ccc(cc1)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)Cc1cccs1
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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 C25H18N4O3S2 MW 486.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H18N4O3S2/c1-15-4-8-17(9-5-15)24(31)32-18-10-6-16(7-11-18)13-20-22(26)29-25(27-23(20)30)34-21(28-29)14-19-3-2-12-33-19/h2-13,26H,14H2,1H3/b20-13+,26-22-InChIKey
AEGAXVJOHKTFON-ANUUQEJFSA-NSynonyms
4((E)(5imino7oxo2(thiophen2ylmethyl)5H(134)thiadiazolo(32a)pyrimidin6(7H)ylidene)methyl)phenyl4methylbenzoate
Cc1ccc(cc1)C(=O)Oc1ccc(cc1)C=C1C(=O)N=c2n(C1=N)nc(s2)Cc1cccs1
MFCD05978076
ZINC000012628739
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