Vitas-M small molecule compound
2-(16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)-N-(4-ethoxyphenyl)-4-(methylsulfanyl)butanamide (non-preferred name)
Catalog ID
STK269246
SMILES CCOc1ccc(cc1)NC(=O)C(N1C(=O)C2C(C1=O)C1c3c(C2c2c1cccc2)cccc3)CCSC
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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 C31H30N2O4S MW 526.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H30N2O4S/c1-3-37-19-14-12-18(13-15-19)32-29(34)24(16-17-38-2)33-30(35)27-25-20-8-4-5-9-21(20)26(28(27)31(33)36)23-11-7-6-10-22(23)25/h4-15,24-28H,3,16-17H2,1-2H3,(H,32,34)InChIKey
URSUVSMPEQTNQJ-UHFFFAOYSA-NSynonyms
2(1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)N(4ethoxyphenyl)4(methylsulfanyl)butanamide(nonpreferredname)
CCOC1=CC=C(C=C1)NC(=O)C(CCSC)N2C(=O)C3C(C2=O)C4C5=CC=CC=C5C3C6=CC=CC=C46
InChI=1SC31H30N2O4Sc133719141218(131519)3229(34)24(1617382)3330(35)272520845921(20)26(28(27)31(33)36)2311761022(23)25h4152428H31617H212H3(H3234)
MFCD02028518
ZINC000013857880
ZINC000035315449
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