Vitas-M small molecule compound

1-(4-ethoxyphenyl)-N-(3-methylphenyl)-4-(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide

Catalog ID
STK588472
SMILES CCOc1ccc(cc1)c1c(C(=O)Nc2cccc(c2)C)n2c3c1CCCCn3c(c2)c1ccc(cc1)C

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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 C33H33N3O2 MW 503.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H33N3O2/c1-4-38-27-17-15-25(16-18-27)30-28-10-5-6-19-35-29(24-13-11-22(2)12-14-24)21-36(33(28)35)31(30)32(37)34-26-9-7-8-23(3)20-26/h7-9,11-18,20-21H,4-6,10,19H2,1-3H3,(H,34,37)
InChIKey
NIPURRWCHGMIMK-UHFFFAOYSA-N
Synonyms
896168-94-8
1(4ethoxyphenyl)N(3methylphenyl)4(4methylphenyl)5678tetrahydro2a4adiazacyclopenta(cd)azulene2carboxamide
1(4ethoxyphenyl)N(mtolyl)4(ptolyl)5678tetrahydro2a4adiazacyclopenta(cd)azulene2carboxamide
896168948
CCOC1=CC=C(C=C1)C2=C(N3C=C(N4C3=C2CCCC4)C5=CC=C(C=C5)C)C(=O)NC6=CC=CC(=C6)C
InChI=1SC33H33N3O2c143827171525(161827)30281056193529(24131122(2)121424)2136(33(28)35)31(30)32(37)342697823(3)2026h7911182021H461019H213H3(H3437)
MFCD06600215
ZINC000002223500
ZINC02223500
ZINC2223500

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Available files

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