Vitas-M small molecule compound
2-{[5-acetyl-3-cyano-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridin-2-yl]sulfanyl}-N-[(2E)-1,3-benzothiazol-2(3H)-ylidene]acetamide
Catalog ID
STL040367
SMILES N#CC1=C(SCC(=O)/N=c\2/sc3c([nH]2)cccc3)NC(=C(C1c1ccccc1[N+](=O)[O-])C(=O)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 C24H19N5O4S2 MW 505.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H19N5O4S2/c1-13-21(14(2)30)22(15-7-3-5-9-18(15)29(32)33)16(11-25)23(26-13)34-12-20(31)28-24-27-17-8-4-6-10-19(17)35-24/h3-10,22,26H,12H2,1-2H3,(H,27,28,31)InChIKey
BVCBAFBVUQYYSL-UHFFFAOYSA-NSynonyms
327167-81-72((5acetyl3cyano6methyl4(2nitrophenyl)14dihydropyridin2yl)sulfanyl)N((2E)13benzothiazol2(3H)ylidene)acetamide
2((5ACETYL3CYANO6METHYL4(2NITROPHENYL)14DIHYDROPYRIDIN2YL)SULFANYL)N(13BENZOTHIAZOL2YL)ACETAMIDE
327167817
CC1=C(C(C(=C(N1)SCC(=O)NC2=NC3=CC=CC=C3S2)C#N)C4=CC=CC=C4(N+)(=O)(O))C(=O)C
InChI=1SC24H19N5O4S2c11321(14(2)30)22(15735918(15)29(32)33)16(1125)23(2613)341220(31)282427178461019(17)3524h3102226H12H212H3(H272831)
MFCD04077599
N#CC1=C(SCC(=O)N=c2sc3c((nH)2)cccc3)NC(=C(C1c1ccccc1(N+)(=O)(O))C(=O)C)C
ZINC000008934516
ZINC000009312774
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