Vitas-M small molecule compound

2-methyl-3-{[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylidene]amino}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

Catalog ID
STK371066
SMILES [O-][N+](=O)c1cc2OCOc2cc1/C=N/n1c(C)nc2c(c1=O)c1CCCCc1s2

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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 C19H16N4O5S MW 412.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16N4O5S/c1-10-21-18-17(12-4-2-3-5-16(12)29-18)19(24)22(10)20-8-11-6-14-15(28-9-27-14)7-13(11)23(25)26/h6-8H,2-5,9H2,1H3/b20-8+
InChIKey
POFUPGMWNLJZJB-DNTJNYDQSA-N
Synonyms

(O)(N+)(=O)c1cc2OCOc2cc1C=Nn1c(C)nc2c(c1=O)c1CCCCc1s2
2methyl3(((E)(6nitro13benzodioxol5yl)methylidene)amino)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
2methyl3((E)(6nitro13benzodioxol5yl)methylideneamino)5678tetrahydro(1)benzothiolo(23d)pyrimidin4one
CC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1N=CC4=CC5=C(C=C4(N+)(=O)(O))OCO5
InChI=1SC19H16N4O5Sc110211817(12423516(12)2918)19(24)22(10)2081161415(2892714)713(11)23(25)26h68H259H21H3b208+
MFCD00335338
ZINC000000793509
ZINC33340025

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Available files

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