Vitas-M small molecule compound
4-[6-amino-5-cyano-3-(4-methoxyphenyl)-1,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2-ethoxy-6-nitrophenyl thiophene-2-carboxylate
Catalog ID
STK677519
SMILES CCOc1cc(cc(c1OC(=O)c1cccs1)[N+](=O)[O-])C1C(=C(N)Oc2c1c(n[nH]2)c1ccc(cc1)OC)C#N
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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 C27H21N5O7S MW 559.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21N5O7S/c1-3-37-19-12-15(11-18(32(34)35)24(19)38-27(33)20-5-4-10-40-20)21-17(13-28)25(29)39-26-22(21)23(30-31-26)14-6-8-16(36-2)9-7-14/h4-12,21H,3,29H2,1-2H3,(H,30,31)InChIKey
CSCBPVMYQWUXDM-UHFFFAOYSA-NSynonyms
(4(6AMINO5CYANO3(4METHOXYPHENYL)24DIHYDROPYRANO(23C)PYRAZOL4YL)2ETHOXY6NITROPHENYL)THIOPHENE2CARBOXYLATE
4(6amino5cyano3(4methoxyphenyl)14dihydropyrano(23c)pyrazol4yl)2ethoxy6nitrophenylthiophene2carboxylate
CCOC1=CC(=CC(=C1OC(=O)C2=CC=CS2)(N+)(=O)(O))C3C(=C(OC4=NNC(=C34)C5=CC=C(C=C5)OC)N)C#N
CCOc1cc(cc(c1OC(=O)c1cccs1)(N+)(=O)(O))C1C(=C(N)Oc2c1c(n(nH)2)c1ccc(cc1)OC)C#N
InChI=1SC27H21N5O7Sc1337191215(1118(32(34)35)24(19)3827(33)2054104020)2117(1328)25(29)392622(21)23(303126)146816(362)9714h41221H329H212H3(H3031)
MFCD03035528
ZINC000003672515
ZINC000003672516
ZINC03672515
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