Vitas-M small molecule compound
2-{[5-(4-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(1,2,3,4-tetrahydro-9H-carbazol-9-yl)ethanone
Catalog ID
STK147512
SMILES C=CCn1c(SCC(=O)n2c3ccccc3c3c2CCCC3)nnc1c1ccc(cc1)[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 C25H23N5O3S MW 473.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N5O3S/c1-2-15-28-24(17-11-13-18(14-12-17)30(32)33)26-27-25(28)34-16-23(31)29-21-9-5-3-7-19(21)20-8-4-6-10-22(20)29/h2-3,5,7,9,11-14H,1,4,6,8,10,15-16H2InChIKey
CMACPRNJOOXVQE-UHFFFAOYSA-NSynonyms
2((5(4nitrophenyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)1(1234tetrahydro9Hcarbazol9yl)ethanone
2((5(4nitrophenyl)4prop2enyl124triazol3yl)sulfanyl)1(1234tetrahydrocarbazol9yl)ethanone
C=CCN1C(=NN=C1SCC(=O)N2C3=C(CCCC3)C4=CC=CC=C42)C5=CC=C(C=C5)(N+)(=O)(O)
C=CCn1c(SCC(=O)n2c3ccccc3c3c2CCCC3)nnc1c1ccc(cc1)(N+)(=O)(O)
InChI=1SC25H23N5O3Sc12152824(17111318(141217)30(32)33)262725(28)341623(31)2921953719(21)208461022(20)29h235791114H1468101516H2
MFCD05985673
ZINC000002835369
ZINC02835369
ZINC2835369
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