Vitas-M small molecule compound

3-tert-butyl-7-{[2-(4-phenylpiperazin-1-yl)ethyl]amino}-8H-naphtho[2,3-a]phenoxazine-8,13(14H)-dione

Catalog ID
STK548789
SMILES O=c1c2ccccc2c(=O)c2c1c(NCCN1CCN(CC1)c1ccccc1)cc1c2[nH]c2c(o1)cc(cc2)C(C)(C)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 C36H36N4O3 MW 572.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H36N4O3/c1-36(2,3)23-13-14-27-29(21-23)43-30-22-28(37-15-16-39-17-19-40(20-18-39)24-9-5-4-6-10-24)31-32(33(30)38-27)35(42)26-12-8-7-11-25(26)34(31)41/h4-14,21-22,37-38H,15-20H2,1-3H3
InChIKey
NMLWSXIGCIOTCX-UHFFFAOYSA-N
Synonyms

3(tertbutyl)7((2(4phenylpiperazin1yl)ethyl)amino)8Hnaphtho(23a)phenoxazine813(14H)dione
3tertbutyl7((2(4phenylpiperazin1yl)ethyl)amino)8Hnaphtho(23a)phenoxazine813(14H)dione
3TERTBUTYL7(2(4PHENYLPIPERAZIN1YL)ETHYLAMINO)14HNAPHTHO(32A)PHENOXAZINE813DIONE
CC(C)(C)C1=CC2=C(C=C1)NC3=C(O2)C=C(C4=C3C(=O)C5=CC=CC=C5C4=O)NCCN6CCN(CC6)C7=CC=CC=C7
InChI=1SC36H36N4O3c136(23)2313142729(2123)43302228(37151639171940(201839)2495461024)3132(33(30)3827)35(42)2612871125(26)34(31)41h41421223738H1520H213H3
MFCD03667797
O=c1c2ccccc2c(=O)c2c1c(NCCN1CCN(CC1)c1ccccc1)cc1c2(nH)c2c(o1)cc(cc2)C(C)(C)C
ZINC000101756001

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Available files

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