Vitas-M small molecule compound

11-chloro-N-[3-(2,3-dihydro-1H-inden-5-yloxy)-5-nitrophenyl]-7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazoline-10-carboxamide

Catalog ID
STK338607
SMILES O=C(c1nn2c(c1Cl)nc1c(c2C(F)(F)F)CCc2c1cccc2)Nc1cc(Oc2ccc3c(c2)CCC3)cc(c1)[N+](=O)[O-]

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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 C31H21ClF3N5O4 MW 619.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H21ClF3N5O4/c32-25-27(38-39-28(31(33,34)35)24-11-9-17-4-1-2-7-23(17)26(24)37-29(25)39)30(41)36-19-13-20(40(42)43)15-22(14-19)44-21-10-8-16-5-3-6-18(16)12-21/h1-2,4,7-8,10,12-15H,3,5-6,9,11H2,(H,36,41)
InChIKey
AJUVBNRIUDKKMB-UHFFFAOYSA-N
Synonyms
352209-00-8
(11CHLORO7(TRIFLUOROMETHYL)(568TRIHYDROBENZO(H)PYRAZOLO(51B)QUINAZOLIN10YL))N(5INDAN5YLOXY3NITROPHENYL)CARBOXAMIDE
11chloroN(3((23dihydro1Hinden5yl)oxy)5nitrophenyl)7(trifluoromethyl)56dihydrobenzo(h)pyrazolo(51b)quinazoline10carboxamide
11CHLORON(3(23DIHYDRO1HINDEN5YLOXY)5NITROPHENYL)7(TRIFLUOROMETHYL)56DIHYDROBENZO(H)PYRAZOLO(51B)QUINAZOLINE10CARBOXAMIDE
352209008
C1CC2=C(C1)C=C(C=C2)OC3=CC(=CC(=C3)(N+)(=O)(O))NC(=O)C4=NN5C(=C6CCC7=CC=CC=C7C6=NC5=C4Cl)C(F)(F)F
InChI=1SC31H21ClF3N5O4c322527(383928(31(3334)35)2411917412723(17)26(24)3729(25)39)30(41)36191320(40(42)43)1522(1419)44211081653618(16)1221h12478101215H356911H2(H3641)
MFCD01975186
O=C(c1nn2c(c1Cl)nc1c(c2C(F)(F)F)CCc2c1cccc2)Nc1cc(Oc2ccc3c(c2)CCC3)cc(c1)(N+)(=O)(O)
ZINC000008444891
ZINC08444891
ZINC8444891

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Available files

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