Vitas-M small molecule compound
5-(1-acetyl-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)-2-chlorobenzoic acid (non-preferred name)
Catalog ID
STK279196
SMILES OC(=O)c1cc(ccc1Cl)N1C(=O)C2C(C1=O)C1(C(=O)C)c3c(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 C27H18ClNO5 MW 471.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H18ClNO5/c1-13(30)27-18-8-4-2-6-15(18)21(16-7-3-5-9-19(16)27)22-23(27)25(32)29(24(22)31)14-10-11-20(28)17(12-14)26(33)34/h2-12,21-23H,1H3,(H,33,34)InChIKey
GBWIQYBJHPNOGF-UHFFFAOYSA-NSynonyms
5(1acetyl1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)2chlorobenzoicacid(nonpreferredname)
CC(=O)C12C3C(C(C4=CC=CC=C41)C5=CC=CC=C25)C(=O)N(C3=O)C6=CC(=C(C=C6)Cl)C(=O)O
InChI=1SC27H18ClNO5c113(30)2718842615(18)21(16735919(16)27)2223(27)25(32)29(24(22)31)14101120(28)17(1214)26(33)34h2122123H1H3(H3334)
MFCD01802315
ZINC000009096126
ZINC000009096129
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