Vitas-M small molecule compound
3-(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)phenyl thiophene-2-carboxylate (non-preferred name)
Catalog ID
STK286467
SMILES O=C(c1cccs1)Oc1cccc(c1)N1C(=O)C2C(C1=O)C1c3c(C2c2c1cccc2)cccc3
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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 C29H19NO4S MW 477.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H19NO4S/c31-27-25-23-18-9-1-2-10-19(18)24(21-12-4-3-11-20(21)23)26(25)28(32)30(27)16-7-5-8-17(15-16)34-29(33)22-13-6-14-35-22/h1-15,23-26HInChIKey
HDJIKSKBDQFLBW-UHFFFAOYSA-NSynonyms
3(1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)phenylthiophene2carboxylate(nonpreferredname)
C1=CC=C2C3C4C(C(C2=C1)C5=CC=CC=C35)C(=O)N(C4=O)C6=CC(=CC=C6)OC(=O)C7=CC=CS7
InChI=1SC29H19NO4Sc31272523189121019(18)24(2112431120(21)23)26(25)28(32)30(27)1675817(1516)3429(33)22136143522h1152326H
MFCD03273988
ZINC000001102754
ZINC000018155685
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