Vitas-M small molecule compound
(2Z)-2-[(1,3-dimethyl-1H-pyrazol-4-yl)methylidene]-5-methyl-1-oxo-N-phenyl-1,2-dihydro-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocine-13-carboxamide
Catalog ID
STL399433
SMILES O=C(C1C2c3ccccc3OC1(C)N=c1n2c(=O)/c(=C/c2cn(nc2C)C)/s1)Nc1ccccc1
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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 C26H23N5O3S MW 485.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23N5O3S/c1-15-16(14-30(3)29-15)13-20-24(33)31-22-18-11-7-8-12-19(18)34-26(2,28-25(31)35-20)21(22)23(32)27-17-9-5-4-6-10-17/h4-14,21-22H,1-3H3,(H,27,32)/b20-13-InChIKey
LJEIJQGNUQHADF-MOSHPQCFSA-NSynonyms
1025243-09-7(2Z)2((13DIMETHYL1HPYRAZOL4YL)METHYLIDENE)5METHYL1OXONPHENYL12DIHYDRO5H11H511METHANO(13)THIAZOLO(23D)(135)BENZOXADIAZOCINE13CARBOXAMIDE
1025243097
CC1=NN(C=C1C=C2C(=O)N3C4C(C(N=C3S2)(OC5=CC=CC=C45)C)C(=O)NC6=CC=CC=C6)C
InChI=1SC26H23N5O3Sc11516(1430(3)2915)132024(33)31221811781219(18)3426(22825(31)3520)21(22)23(32)271795461017h4142122H13H3(H2732)b2013
MFCD04046419
O=C(C1C2c3ccccc3OC1(C)N=c1n2c(=O)c(=Cc2cn(nc2C)C)s1)Nc1ccccc1
ZINC000002788016
ZINC000022743035
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