Vitas-M small molecule compound
3-(3-methyl-4-nitro-1H-pyrazol-1-yl)-N-(2-methyl-4-oxo-5,6,7,8,9,10-hexahydrocycloocta[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)propanamide
Catalog ID
STL403293
SMILES O=C(Nn1c(C)nc2c(c1=O)c1CCCCCCc1s2)CCn1cc(c(n1)C)[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 C20H24N6O4S MW 444.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H24N6O4S/c1-12-15(26(29)30)11-24(22-12)10-9-17(27)23-25-13(2)21-19-18(20(25)28)14-7-5-3-4-6-8-16(14)31-19/h11H,3-10H2,1-2H3,(H,23,27)InChIKey
QWXCBJROFDIKOP-UHFFFAOYSA-NSynonyms
1005692-83-01005692830
3(3methyl4nitro1Hpyrazol1yl)N(2methyl4oxo5678910hexahydrocycloocta(45)thieno(23d)pyrimidin3(4H)yl)propanamide
3(3methyl4nitropyrazol1yl)N(2methyl4oxo5678910hexahydrocycloocta(23)thieno(24d)pyrimidin3yl)propanamide
CC1=NN(C=C1(N+)(=O)(O))CCC(=O)NN2C(=NC3=C(C2=O)C4=C(S3)CCCCCC4)C
InChI=1SC20H24N6O4Sc11215(26(29)30)1124(2212)10917(27)232513(2)211918(20(25)28)1475346816(14)3119h11H310H212H3(H2327)
MFCD04042743
O=C(Nn1c(C)nc2c(c1=O)c1CCCCCCc1s2)CCn1cc(c(n1)C)(N+)(=O)(O)
ZINC000002781616
ZINC02781616
ZINC2781616
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